6QPZ
Crystal structure of as isolated Y323E mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | H 3 |
| Unit cell lengths | 127.550, 127.550, 172.680 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.730 - 1.650 |
| R-factor | 0.15937 |
| Rwork | 0.158 |
| R-free | 0.17806 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.671 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.640 | 1.490 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.054 | 1.167 |
| Rpim | 0.050 | 0.905 |
| Number of reflections | 183931 | |
| <I/σ(I)> | 8.8 | 0.8 |
| Completeness [%] | 98.5 | 95.2 |
| Redundancy | 2.8 | 2.5 |
| CC(1/2) | 0.990 | 0.428 |
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 |
