9KWT
Structure of a copper-containing nitrite reductase (D98N/G136A mutant) from Geobacillus thermodenitrificans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9 |
| Spacegroup name | H 3 |
| Unit cell lengths | 115.126, 115.126, 84.430 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.110 - 0.960 |
| R-factor | 0.1007 |
| Rwork | 0.100 |
| R-free | 0.10670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yso |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.165 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.000 | 0.980 |
| High resolution limit [Å] | 0.960 | 0.960 |
| Rmerge | 0.070 | 1.127 |
| Rpim | 0.045 | 0.691 |
| Number of reflections | 254215 | 12736 |
| <I/σ(I)> | 10 | 1.3 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 5.1 | 5.1 |
| CC(1/2) | 0.999 | 0.579 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 0.1 M acetate buffer pH 4.5, 5.5% (w/v) PEG 4000, and 75 mM CuSO4 |
