4ZK8
Copper-containing nitrite reductase from thermophilic bacterium Geobacillus thermodenitrificans (Re-refined)
Replaces: 3WKOExperimental 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 | CCD |
| Collection date | 2013-01-25 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.90000 |
| Spacegroup name | H 3 |
| Unit cell lengths | 115.054, 115.054, 84.417 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.060 - 1.150 |
| R-factor | 0.12162 |
| Rwork | 0.120 |
| R-free | 0.14604 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.321 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.170 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.285 | |
| Number of reflections | 141618 | |
| <I/σ(I)> | 13.2 | 1.6 |
| Completeness [%] | 95.7 | 91.7 |
| Redundancy | 2.6 | 2.1 |
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 |
