6QQ0
Crystal structure of nitrite bound Y323E 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 | 2018-12-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96861 |
| Spacegroup name | H 3 |
| Unit cell lengths | 127.650, 127.650, 86.560 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.630 - 1.400 |
| R-factor | 0.11515 |
| Rwork | 0.113 |
| R-free | 0.14580 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.670 |
| 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] | 61.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.072 | 1.160 |
| Rpim | 0.058 | 0.910 |
| Number of reflections | 103296 | 5105 |
| <I/σ(I)> | 6.8 | 0.8 |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 2.8 | 2.8 |
| CC(1/2) | 0.996 | 0.304 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 284 | 0.1M HEPES (pH7.5), 20% PEG 3350, 0.2 M Sodium citrate |
