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 |
