run at = Tue Jul 20 14:52:28 BST 2010 in = /home/osmart/2010/07/sult1a3/sult1a3_tutorial user = osmart cmd = refine -p partE_coot_rebuild.pdb -m 2a3r.mtz -d /tmp/./partE \ -autoncs -nbig 2 Files used: PDB = /tmp/./partE/pdbchk.pdb MTZ = 2a3r.mtz output written to subdirectory = /tmp/./partE best refinement for FP,SIGFP with R/Rfree 0.2392/0.2888 header records are copied from input PDB file (apart from REMARK 3!)
Cycle | Rwork / Rfree / FOM | rms bond / angle |
Rwork / Rfree / FOM | rms bond / angle | waters | real-space CC |
---|---|---|---|---|---|---|
(start) | (end) | added / removed | main / side | |||
1 | 0.2983 / 0.3134 / 0.727 | 0.022 / 3.11 | 0.2471 / 0.2940 / 0.797 | 0.011 / 1.27 | + / - | |
2 | 0.2419 / 0.2883 / 0.800 | 0.011 / 1.28 | 0.2392 / 0.2888 / 0.804 | 0.010 / 1.24 | 0 | 0.914 A B / 0.818 |