6QPX
Crystal structure of nitrite bound Y323A mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-27 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.96861 |
| Spacegroup name | H 3 |
| Unit cell lengths | 128.500, 128.500, 172.470 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.330 - 1.700 |
| R-factor | 0.17518 |
| Rwork | 0.174 |
| R-free | 0.20303 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.509 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.100 | 1.640 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.142 | 1.800 |
| Rpim | 0.071 | 0.890 |
| Number of reflections | 137234 | 6817 |
| <I/σ(I)> | 0.997 | |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 5 | 5 |
| CC(1/2) | 0.448 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 283 | 0.1M HEPES (pH7.5), 20% PEG 3350, 0.2 M Sodium citrate |
