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Re: [ccp4bb] How to refine large moleculars? |
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CCP4bb navigationCCP4bb <-- 2008 <-- January 2008 <-- 08 January 2008Subject: Re: How to refine large moleculars? From: Yongchao Li yond_lee {- at -} YAHOO {- dot -} COM Date: 2008-01-08 Thanks for all replies. After water addition, R work is 0.27 and R free 0.33. TLS and NCS results no significant approve. Space group seem right, other space group like P21212 is worse. From truncate result, it is not twinning. More detail is below: space group P212121 a=150.099 b=148.581 c=153.429 resolution: 2.0 A completeness: 92.3 % (58%), near complete to 2.15 A.(last shell 90.7%) Rsym: 0.076 (34.0) I/sigma = 20 (2.5) Chavas Leo I don't know how to reduce them. I second Tim in the fact that you should give more details on what you tried to do as well as your statistics (resolution, data quality etc.). For instance, did you had water molecules? Did you try TLS refinement? Do you have a wrong symmetry? HTH. Kind regards. Leo ------------------------------------------------------------ Chavas Leonard, Ph.D. Research Associate ------------------------------------------------------------ Faculty of Life Sciences The University of Manchester The Michael Smith Building Oxford Road Manchester Lancashire M13 9PT ------------------------------------------------------------ Tel: +44(0)161-275-1586 e-mail: Leonard.Chavas@manchester.ac.uk --------------------------------- Be a better friend, newshound, and know-it-all with Yahoo! Mobile. Try it now. CCP4bb navigationCCP4bb <-- 2008 <-- January 2008 <-- 08 January 2008 |
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