5YTN
C135A mutant of copper-containing nitrite reductase from Geobacillus thermodenitrificans in complex with peroxide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-14 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9000 |
| Spacegroup name | H 3 |
| Unit cell lengths | 115.566, 115.566, 84.013 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.500 - 1.750 |
| R-factor | 0.1945 |
| Rwork | 0.193 |
| R-free | 0.22736 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.340 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmeas | 0.126 | 0.391 |
| Number of reflections | 40443 | 2098 |
| <I/σ(I)> | 11.9 | 4.1 |
| Completeness [%] | 95.6 | 98.5 |
| Redundancy | 2.6 | 2.7 |
| CC(1/2) | 0.841 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M acetate buffer pH 4.5, 7.0% PEG 4000 |
