5F7B
Resting state structure of CuNiR form Alcaligenes faecalis determined at 293 K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2015-11-25 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.95 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.836, 103.511, 147.246 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.830 - 1.560 |
| R-factor | 0.15005 |
| Rwork | 0.149 |
| R-free | 0.17720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sjm |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.322 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.620 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.071 | 0.726 |
| Number of reflections | 136155 | |
| <I/σ(I)> | 24.2 | 2.2 |
| Completeness [%] | 99.6 | 96.1 |
| Redundancy | 4.9 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.1 | 293 | 100 mM sodium acetate, 7% PEG 4000 |
