5ONY
As-isolated resting state copper nitrite reductase from Achromobacter xylosoxidans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | H 3 |
| Unit cell lengths | 90.347, 90.347, 143.580 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.860 - 1.600 |
| R-factor | 0.19141 |
| Rwork | 0.190 |
| R-free | 0.22334 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oe1 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.897 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.860 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rpim | 0.147 | 0.550 |
| Number of reflections | 56521 | 2791 |
| <I/σ(I)> | 5.1 | |
| Completeness [%] | 98.0 | 97.8 |
| Redundancy | 3.3 | 3.1 |
| CC(1/2) | 0.981 | 0.782 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 10% w/v PEG 550 MME, 10 mM ZnSO4, 100 mM MES buffer, pH 6.5 |
