6QPV
Crystal structure of as isolated 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 | 2018-03-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.96861 |
| Spacegroup name | H 3 |
| Unit cell lengths | 128.230, 128.230, 172.650 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.830 - 1.600 |
| R-factor | 0.16696 |
| Rwork | 0.165 |
| R-free | 0.19587 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ziy |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.592 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.830 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.152 | 1.227 |
| Rpim | 0.068 | |
| Number of reflections | 169421 | 37585 |
| <I/σ(I)> | 8.3 | 1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.8 | 4.5 |
| CC(1/2) | 0.996 | 0.655 |
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 |
