6E0Y
A131Q mutant of cyt P460 of Nitrosomonas sp. AL212 with bound NH2OH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-04 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.031, 80.941, 120.598 |
| Unit cell angles | 90.00, 96.03, 90.00 |
Refinement procedure
| Resolution | 29.186 - 2.257 |
| R-factor | 0.1953 |
| Rwork | 0.193 |
| R-free | 0.24170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6amg |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.017 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((dev_3126)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.430 | 2.314 |
| High resolution limit [Å] | 2.250 | 2.257 |
| Rmerge | 0.077 | 1.650 |
| Number of reflections | 41097 | 41095 |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 94.8 | |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.2 M sodium chloride, 0.1 M sodium acetate, and PEG 6000 |
