6ZAV
NO-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) at 1.19 A resolution (unrestrained, full matrix refinement by SHELX)
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 | 2020-02-08 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.8000 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 107.467, 107.467, 107.467 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.190 |
| R-factor | 0.125 |
| Rwork | 0.125 |
| R-free | 0.15500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6thf |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.060 | 1.210 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Rmerge | 0.055 | 1.223 |
| Rmeas | 0.066 | 1.476 |
| Rpim | 0.025 | 0.572 |
| Total number of observations | 41824 | |
| Number of reflections | 166484 | 6441 |
| <I/σ(I)> | 16.7 | 1.4 |
| Completeness [%] | 99.9 | 97.9 |
| Redundancy | 6.8 | 6.5 |
| CC(1/2) | 1.000 | 0.508 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 1.6/1.8 M (NH4)2SO3 and 50mM HEPES buffer pH 5/ pH 5.5 |
