How does the Molprobity report look like ? How many Rama outlieres, bad Cbeta, rotamers ? What's your percentile ? Look at the multicriterion chart to fix your problems :-)
http://molprobity.biochem.duke.edu/ Juergen Yongchao Li wrote:
Dear all, 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 <[EMAIL PROTECTED]>/* wrote: Dear Li,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: [EMAIL PROTECTED] <mailto:[EMAIL PROTECTED]> ------------------------------------------------------------------------Be a better friend, newshound, and know-it-all with Yahoo! Mobile. Try it now. <http://us.rd.yahoo.com/evt=51733/*http://mobile.yahoo.com/;_ylt=Ahu06i62sR8HDtDypao8Wcj9tAcJ%20>
-- Jürgen Bosch University of Washington Dept. of Biochemistry, K-426 1705 NE Pacific Street Seattle, WA 98195 Box 357742 Phone: +1-206-616-4510 FAX: +1-206-685-7002 Web: http://faculty.washington.edu/jbosch
