run at = Sun Jul 18 20:43:46 BST 2010 in = /home/osmart/2010/07/sult1a3/sult1a3_tutorial user = osmart cmd = refine -p balbes_molrep_2ar3frame.pdb -m 2a3r.mtz -d \ /tmp/./partB -autoncs -nbig 2 -nsmall 40 Files used: PDB = /tmp/./partB/pdbchk.pdb MTZ = 2a3r.mtz output written to subdirectory = /tmp/./partB best refinement for FP,SIGFP with R/Rfree 0.4039/0.4043 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 | 0.4333 / 0.4221 / 0.487 | 0.029 / 2.07 | 0.4201 / 0.4117 / 0.521 | 0.011 / 1.18 | + / - | |
2 | 0.4173 / 0.4090 / 0.523 | 0.011 / 1.18 | 0.4039 / 0.4043 / 0.560 | 0.010 / 1.00 | 0 | 0.786 A B / 0.624 |