3X1N
Nitrite-bound thermostable copper nitrite reductase at 320 K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 320 |
| Detector technology | CCD |
| Collection date | 2013-11-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | H 3 |
| Unit cell lengths | 116.300, 116.300, 85.652 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.790 - 1.550 |
| R-factor | 0.11539 |
| Rwork | 0.115 |
| R-free | 0.13141 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3WKO |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.365 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 60565 | |
| <I/σ(I)> | 2.5 | |
| Completeness [%] | 96.6 | 98.9 |
| Redundancy | 3.9 | 3.7 |
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 |
