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Dear All The following is part of what I got from shelxl ATOM 384 N ILE 1050 -0.185 29.723 0.947 1.000 9.58 ATOM 385 CA ILE 1050 -0.788 29.803 2.275 1.000 17.55 ATOM 386 CB ILE 1050 -0.348 31.024 3.098 1.000 23.32 ATOM 387 CG2 ILE 1050 -1.213 31.162 4.351 1.000 0.00 ATOM 388 CG1 ILE 1050 1.135 31.048 3.478 1.000 22.14 ATOM 389 CD1 ILE 1050 1.588 29.860 4.300 1.000 0.00 ATOM 390 C ILE 1050 -2.310 29.822 2.127 1.000 6.34 ATOM 391 O ILE 1050 -2.999 29.036 2.779 1.000 7.89 ATOM 616 N GLU 1082 2.945 31.595 18.500 1.000 3.49 ATOM 617 CA GLU 1082 2.519 31.395 19.895 1.000 6.90 ATOM 618 CB GLU 1082 3.661 30.788 20.716 1.000 2.98 ATOM 619 CG GLU 1082 3.739 29.272 20.597 1.000 3.87 ATOM 620 CD GLU 1082 5.007 28.667 21.163 1.000 8.23 ATOM 621 OE1 GLU 1082 5.792 29.410 21.787 1.000 5.38 ATOM 622 OE2 GLU 1082 5.242 27.446 20.997 1.000 5.94 ATOM 623 C GLU 1082 1.996 32.692 20.501 1.000 17.00 ATOM 624 O GLU 1082 1.139 32.633 21.391 1.000 28.29 What confused me is why some Bfactors' value is 0 and B factor of side chain is lower than main chain. I have to use shelx to refine protein structure, since my crystal is twinning. Many thanks Best Hao _________________________________________________________________ 率先尝试 Windows Live Mail。 http://ideas.live.com/programpage.aspx?versionId=5d21c51a-b161-4314-9b0e-4911fb2b2e6d
