7ZS8
Mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae at 1.4 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-29 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.842, 89.144, 89.731 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.950 - 1.400 |
R-factor | 0.19763 |
Rwork | 0.196 |
R-free | 0.22096 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6fu3 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.972 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.950 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.068 | 0.066 |
Number of reflections | 124619 | 6083 |
<I/σ(I)> | 11.4 | |
Completeness [%] | 99.9 | |
Redundancy | 6.4 | |
CC(1/2) | 0.999 | 0.813 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 278 | 0.1 M MES pH 6.0, 30 % 5/4 PO/OH, 2 mM CaCl2, 10 mM sodium ascorbate and 0.2 mM FMN |