6QQ1
Crystal structure of as isolated Y323F mutant of haem-Cu containing nitrite reductase from Ralstonia pickettii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97624 |
| Spacegroup name | H 3 |
| Unit cell lengths | 128.291, 128.291, 86.177 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 65.100 - 1.750 |
| R-factor | 0.1378 |
| Rwork | 0.136 |
| R-free | 0.16333 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.668 |
| 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] | 65.150 | 1.640 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.113 | 1.140 |
| Rmeas | 0.128 | |
| Rpim | 0.055 | 0.560 |
| Number of reflections | 58770 | |
| <I/σ(I)> | 9.3 | 1.4 |
| Completeness [%] | 95.0 | 62.5 |
| Redundancy | 5.2 | 5.2 |
| CC(1/2) | 0.997 | 0.552 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 284 | 0.1M HEPES (pH7.5), 20% PEG 3350, 0.2 M Sodium citrate |
