-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear ,
- - how complete is your model compared to the sequence expected in the crystal? If it is not very complete, yet, your R-values might diverge - - Your RMS BondAngle is pretty high. Set the matrix weight manually to a lower number (0.1 or less) until the BondAngle is around 1.6 - - try arp/warp or any other autobuilding tool. If your data are fine, they should produce a decent model. Having said that you might also go back and check your data processing: did you cut the resolution appropriately? Otherwise you may include a lot a noise during refinement which will destabilise the refinement. Tim On 10/13/2011 01:14 PM, 王瑞 wrote: > hello everyone: > > Excuse me, could anyone give me some suggestions? Afetr several cycles > of refmac, it give me such a result: > Initial Final > R factor 0.2540 0.2531 > R free 0.3499 0.3500 > Rms BondLength 0.0151 0.0151 > Rms BondAngle 2.0266 2.0393 > Rms ChirVolume 0.1179 0.1188 > In fact, I have tried model building & continue refmac, but the R free is > still above 0.34. The resolution is 43.728 to 2.088Å and space group is C > 2 2 21 . What I should to do? > > Thanks > - -- - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.10 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ iD8DBQFOltJjUxlJ7aRr7hoRAuIuAKCuURh9vpZm7a98Pd+A6k0Sl/c5rACgyI54 2KbTQMfJSWnO9J4Hg+hQZVQ= =1gcI -----END PGP SIGNATURE-----
