run at = Tue Jul 20 14:47:08 BST 2010 in = /home/osmart/2010/07/sult1a3/sult1a3_tutorial user = osmart cmd = refine -p partD_coot_rebuild.pdb -m 2a3r.mtz -d /tmp/./partD \ -autoncs -nbig 2 -nsmall 20 Files used: PDB = /tmp/./partD/pdbchk.pdb MTZ = 2a3r.mtz output written to subdirectory = /tmp/./partD best refinement for FP,SIGFP with R/Rfree 0.2686/0.3120 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 | 0.2713 / 0.3142 / 0.768 | 0.011 / 1.14 | 0.2706 / 0.3146 / 0.769 | 0.010 / 1.15 | + / - | |
2 | 0.2686 / 0.3121 / 0.771 | 0.010 / 1.15 | 0.2686 / 0.3120 / 0.771 | 0.010 / 1.14 | 0 | 0.895 A B / 0.788 |