4CJG
Spectroscopically validated structure of the 5 coordinate proximal NO adduct of cytochrome c prime from Alcaligenes xylosoxidans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-12 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 53.621, 53.621, 180.259 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.440 - 1.260 |
| R-factor | 0.16322 |
| Rwork | 0.162 |
| R-free | 0.19465 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.250 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.280 |
| High resolution limit [Å] | 1.260 | 1.260 |
| Rmerge | 0.050 | 0.670 |
| Number of reflections | 40695 | |
| <I/σ(I)> | 13.2 | 2.1 |
| Completeness [%] | 96.7 | 96.7 |
| Redundancy | 5.2 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | AMMONIUM SULPHATE, HEPES PG 7.5 |
