6N1O
Oxidized rat cytochrome c mutant (S47E)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-27 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 0.97856 |
Spacegroup name | P 1 |
Unit cell lengths | 34.705, 52.357, 61.819 |
Unit cell angles | 109.89, 92.66, 91.15 |
Refinement procedure
Resolution | 58.040 - 1.550 |
R-factor | 0.1675 |
Rwork | 0.166 |
R-free | 0.19240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5c0z.pdb |
RMSD bond length | 0.012 |
RMSD bond angle | 2.344 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.29) |
Phasing software | PHASER (2.5.2) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 58.040 | 58.040 | 1.700 |
High resolution limit [Å] | 1.550 | 3.800 | 1.550 |
Rmerge | 0.056 | 0.037 | 0.296 |
Rmeas | 0.074 | 0.049 | 0.398 |
Rpim | 0.048 | 0.032 | 0.263 |
Number of reflections | 56969 | 3923 | 13436 |
<I/σ(I)> | 7.2 | ||
Completeness [%] | 96.4 | 97.7 | 94.9 |
Redundancy | 2.2 | 2.2 | 2.1 |
CC(1/2) | 0.995 | 0.995 | 0.862 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | JBS7D5: 47% MPD, 2% tert Butanol |