3WI9
Crystal structure of copper nitrite reductase from Geobacillus kaustophilus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-18 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 |
| Unit cell lengths | 115.069, 115.069, 87.505 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.900 - 1.300 |
| R-factor | 0.1824 |
| Rwork | 0.182 |
| R-free | 0.19747 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kbw |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.296 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.900 | 1.370 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Number of reflections | 101119 | |
| <I/σ(I)> | 14.9 | 2.4 |
| Completeness [%] | 95.2 | 90.8 |
| Redundancy | 3.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 0.1M Acetate, 5.5% PEG4000, 175mM ZnSO4, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
