6GTI
Achromobacter cycloclastes copper nitrite reductase at pH 5.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-01 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 95.422, 95.422, 95.422 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.900 - 1.500 |
| R-factor | 0.15434 |
| Rwork | 0.153 |
| R-free | 0.17772 |
| Starting model (for MR) | 2bw4 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.668 |
| Data reduction software | XDS (20180126) |
| Data scaling software | Aimless (0.7.1) |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 7.900 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rpim | 0.036 | 0.473 |
| Number of reflections | 46390 | 2247 |
| <I/σ(I)> | 14.7 | 1.4 |
| Completeness [%] | 99.7 | 98.3 |
| Redundancy | 6.2 | 3.4 |
| CC(1/2) | 0.999 | 0.653 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293.15 | 1.2 M ammonium sulphate, 100 mM citrate buffer, pH 5.0 |
