6ZAR
As-isolated copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) at 1.1 A resolution (unrestrained, full matrix refinement by SHELX)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97634 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 106.716, 106.716, 106.716 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.100 |
| R-factor | 0.1249 |
| Rwork | 0.125 |
| R-free | 0.14900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6thf |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.720 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.069 | 0.639 |
| Rpim | 0.038 | 0.499 |
| Number of reflections | 162755 | 7743 |
| <I/σ(I)> | 11.7 | 1.2 |
| Completeness [%] | 99.8 | 97 |
| Redundancy | 6 | 2.7 |
| CC(1/2) | 0.999 | 0.630 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 1.8 M Ammonium sulphate, 50mM Hepes buff |
