3WKQ
Copper-containing nitrite reductase from Geobacillus thermodenitrificans in complex with formate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-24 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9 |
| Spacegroup name | H 3 |
| Unit cell lengths | 114.981, 114.981, 84.431 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.250 - 1.150 |
| R-factor | 0.11848 |
| Rwork | 0.118 |
| R-free | 0.13681 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.322 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.170 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Number of reflections | 143313 | |
| Completeness [%] | 97.3 | 98.9 |
| Redundancy | 3.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 5.5% PEG 4000, 0.1M sodium acetate, 0.075M copper sulphate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
