run at = Wed Jul 21 14:07:00 BST 2010 in = /home/osmart/2010/07/sult1a3/sult1a3_tutorial user = osmart cmd = refine -p partF_coot_rebuild.pdb -m 2a3r.mtz -d /tmp/./partF \ -autoncs -nbig 2 -nsmall 20 Files used: PDB = /tmp/./partF/pdbchk.pdb MTZ = /home/osmart/2010/07/sult1a3/sult1a3_tutorial/2a3r.mtz output written to subdirectory = /tmp/./partF best refinement for FP,SIGFP with R/Rfree 0.2361/0.2798 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 | 0.2390 / 0.2837 / 0.803 | 0.010 / 1.25 | 0.2380 / 0.2830 / 0.805 | 0.010 / 1.23 | + / - | |
2 | 0.2363 / 0.2801 / 0.806 | 0.010 / 1.23 | 0.2361 / 0.2798 / 0.807 | 0.010 / 1.22 | 0 | 0.917 A B / 0.825 |