The key word for refmac is ANOM MAPONLY
Are you using GUI2?
Eleanor

On Wed, 10 Jul 2019 at 09:32, Lumbini Yadav <lumbin...@gmail.com> wrote:

> I have soaked my crystals in  sodium dithionite a reducing agent. I have
> not done mass spec but sequence is confirmed
>
> On Tue, Jul 9, 2019 at 9:26 PM Bonsor, Daniel <dbon...@som.umaryland.edu>
> wrote:
>
>> Have you mass-speced the protein before crystallization to make sure it
>> wasn’t derivatized during expression and/or purification, or compared the
>> mass spec of the crystals verses purified protein? Any fancy reagents or
>> other reductants used during purification?
>>
>> What about S-Acetyl-cysteine (3-letter code: SCY).
>>
>>
>>
>> Best,
>>
>>
>>
>> Dan
>>
>>
>>
>> Daniel A Bonsor PhD.
>>
>> Sundberg Lab
>>
>> Institute of Human Virology
>>
>> University of Maryland, Baltimore
>>
>> 725 W Lombard Street N370
>>
>> Baltimore
>>
>> Maryland
>>
>> MD 21201
>>
>> Tel: (410) 706-7457
>>
>>
>>
>>
>>
>> *From:* CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] *On Behalf Of
>> *Lumbini Yadav
>> *Sent:* Tuesday, July 09, 2019 5:22 AM
>> *To:* CCP4BB@JISCMAIL.AC.UK
>> *Subject:* [ccp4bb] Fo-Fc density close to cysteine residue
>>
>>
>>
>> Dear all,
>>
>>
>>
>> We have found a huge Fo-Fc density close to cysteine residue (see
>> attached image) in the structure with resolution of 1.2A. In the
>> crystallization condition, we have PEG 3350, Potassium phosphate
>> monobasic, glycerol and protein was in Tris and NaCl. Before freezing
>> the crystals were soaked in mother liquor containing sodium dithionite.
>>
>>
>>
>> I have tried different modified cysteine (CSX, CSO, OCS, CME, CSS, SNC, CSD,
>> CXM, SCH, CSU) from the library and also SO3, SO2 and peroxide. But in
>> all the screenings we do see some part of Fo-Fc density unaddressed at 3
>> sigma.
>>
>>
>>
>> Does anyone have an idea about what this density could be? Covalent
>> modification?
>>
>>
>>
>> Thanks.
>>
>>
>>
>>
>>
>> Kind regards,
>>
>> Lumbini
>>
>>
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>
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