Re: [ccp4bb] Issue with high Rfree (0.25) for a high-resolution dataset (1.05 Ang)

2018-10-18 Thread James Phillips
James Phillips Retired, but busy On Thu, Oct 11, 2018 at 03:46 Tim Gruene wrote: > Dear Guto, > > integration programs often ignore overloads, and most of them know the > detector cut-offs. mosflm has the option to estimate the resolution of > overloaded reflections from the none-o

Re: [ccp4bb] protein quasicrystals?

2018-02-13 Thread James Phillips
There are programs which are good at indexing patterns from multiply twinned crystals. Bruker AXS has one, to my knowledge. There may be other sources. I suggest you try that first before you invoke a quasicrystal explanation. James Phillips On Tue, Feb 13, 2018 at 12:07 PM, Takanori Nakane

Re: [ccp4bb] Iron Oxidising state

2018-01-05 Thread James Phillips
X-ray spectroscopy. If you took the data at a sync. source there is possibly equipment for it built into the beam line. On Fri, Jan 5, 2018 at 05:01 LEGRAND Pierre < pierre.legr...@synchrotron-soleil.fr> wrote: > Hi, > > Due to the absorbed X-ray dose and photoreduction process during > datacollec

Re: [ccp4bb] Do you have this type of diffraction pattern?

2017-12-01 Thread James Phillips
I agree with Roger Rowlett, try a room temp capillary mount. Also ,what is the magnification of the microscope/TV system you are using to center these tiny crystals? Centering the loop is not enough. James Phillips On Fri, Dec 1, 2017 at 8:48 AM, Thomas, Leonard M. wrote: > Looking a

Re: [ccp4bb] Regarding Patents

2017-11-03 Thread James Phillips
Realistically, if you live in the US and 5 SCOTUS judges agree you can patent anything. On Fri, Nov 3, 2017 at 09:45 Francisco Tenjo wrote: > Hi. > > A mutated DNA or protein molecule can be patented if the mutations are not > present in nature and they have a technical effect (for example, in t

Re: [ccp4bb] What are acceptable Rwork/Rfree for publication

2017-06-17 Thread James Phillips
I am not happy with an Rmerge of 20%. Also what is the Rmerge and redundancy in the highest shell, i.e. do you really have the resolution of 2.9? How did you collect this data? SR or lab. James Phillips On Wed, Jun 14, 2017 at 8:09 AM, Khoa Pham wrote: > Dear CCP4 members, > > I am

Re: [ccp4bb] Crystal with ZERO diffraction

2016-12-21 Thread James Phillips
I call these crystals as examples of Space Groups 231 where all reflections are systematically absent. Happy Solstice to everyone. The will be more daylight tomorrow (Northern Hemisphere). On Wed, Dec 21, 2016 at 1:44 PM, Tom Huxford wrote: > Dear ccp4b collective mind and experience, > > Gree

Re: [ccp4bb] How many is too many free reflections?

2015-06-16 Thread James Phillips
What is wrong with using Rfree until the very late stages of refinement, then alternating refinements with all reflections and Rfree reflections while not introducing more refinement parameters. This way you would get a structure and e-map based on all the data while ensuring that the data has not

Re: [ccp4bb] Felix Frolow has passed away

2014-08-31 Thread James Phillips
many of us are one co-author away from each other? Shalom, James Phillips On Sun, Aug 31, 2014 at 10:40 AM, Miri Hirshberg < 02897e8e9f0f-dmarc-requ...@jiscmail.ac.uk> wrote: > Sun., Aug. 31th 2014 > London > > Dear All, > > Prof. Felix Frolow has passed away

[ccp4bb] crystallography movies

2010-04-15 Thread james . phillips
y favorite sci-fi movies James Phillips Duke University

[ccp4bb]

2008-06-26 Thread james . phillips
Friedel pairs Bijvoet differences

[ccp4bb] HP OS X10.5 advice needed

2007-12-11 Thread james . phillips
We will shortly be installing a new HP computer for protein crystallography calculations and e-map fitting. The operating system is OS X10.5. Has anyone advice on installing programs O, COOT, CCP4 etc on this system? James Phillips Duke University Medical Center

[ccp4bb] Diffraction data - a modest proposal

2007-08-17 Thread james . phillips
and a good check of the Space Group and a check on radiation damage/ crystal slippage and cell parameter changes during data collection. I suggest this compromise between no or all images as good for the review process without the need to have everything online. James Phillips Duke University Medical Center

[ccp4bb] Best cathode focus for confocal optics

2007-05-27 Thread james . phillips
focal spot size at the crystal with these configurations? James Phillips Duke University Medical Center