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 |