run at = Sun Jul 18 20:45:53 BST 2010 in = /home/osmart/2010/07/sult1a3/sult1a3_tutorial user = osmart cmd = refine -p balbes_molrep_2ar3frame.pdb -m 2a3r.mtz -d \ /tmp/./partC -RB -autoncs -nbig 10 Files used: PDB = /tmp/./partC/pdbchk.pdb MTZ = 2a3r.mtz output written to subdirectory = /tmp/./partC best refinement for FP,SIGFP with R/Rfree 0.2707/0.3151 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 | |||
2 | 0.4397 / 0.4266 / 0.437 | 0.029 / 2.07 | 0.4147 / 0.4173 / 0.530 | 0.009 / 1.08 | + / - | |
3 | 0.3995 / 0.3978 / 0.529 | 0.009 / 1.08 | 0.3642 / 0.3788 / 0.626 | 0.008 / 0.94 | + / - | |
4 | 0.3557 / 0.3684 / 0.625 | 0.008 / 0.94 | 0.3273 / 0.3450 / 0.692 | 0.008 / 0.99 | + / - | |
5 | 0.3244 / 0.3421 / 0.691 | 0.008 / 0.99 | 0.3078 / 0.3317 / 0.719 | 0.008 / 1.04 | + / - | |
6 | 0.3059 / 0.3321 / 0.718 | 0.008 / 1.04 | 0.2939 / 0.3297 / 0.740 | 0.009 / 1.08 | + / - | |
7 | 0.2922 / 0.3273 / 0.739 | 0.009 / 1.08 | 0.2837 / 0.3251 / 0.754 | 0.009 / 1.11 | + / - | |
8 | 0.2827 / 0.3235 / 0.754 | 0.009 / 1.11 | 0.2784 / 0.3239 / 0.762 | 0.010 / 1.13 | + / - | |
9 | 0.2774 / 0.3223 / 0.762 | 0.010 / 1.13 | 0.2756 / 0.3203 / 0.764 | 0.010 / 1.13 | + / - | |
10 | 0.2736 / 0.3169 / 0.765 | 0.010 / 1.13 | 0.2707 / 0.3151 / 0.769 | 0.010 / 1.14 | 0 | 0.896 A B / 0.790 |