3WKP
C135A mutant of Geobacillus thermodenitrificans copper-containing nitrite reductase in complex with nitrite
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Detector technology | CCD |
| Collection date | 2013-06-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9 |
| Spacegroup name | H 3 |
| Unit cell lengths | 114.866, 114.866, 84.039 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.180 - 1.901 |
| R-factor | 0.15889 |
| Rwork | 0.156 |
| R-free | 0.20580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.088 |
| 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] | 50.000 | 1.940 |
| High resolution limit [Å] | 1.901 | 1.901 |
| Number of reflections | 30251 | |
| Completeness [%] | 93.2 | 90.7 |
| Redundancy | 2.3 | 2 |
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 |
