6GCG
Copper nitrite reductase from Achromobacter cycloclastes: large polymorph dataset 15
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2018-01-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 21 3 |
Unit cell lengths | 97.989, 97.989, 97.989 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.545 - 1.800 |
R-factor | 0.168374479402 |
Rwork | 0.166 |
R-free | 0.20504 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5i6k |
RMSD bond length | 0.006 |
RMSD bond angle | 0.885 |
Data reduction software | DIALS |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.550 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 29321 | 1733 |
<I/σ(I)> | 0.72 | 0.06 |
Completeness [%] | 100.0 | 100 |
Redundancy | 978 | 799 |
CC(1/2) | 0.999 | 0.502 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 4.5 | 298 | Batch microcrystals were prepared by rapidly mixing 20 mg/ml AcNiR in 20mM Tris, pH 7.5 with a solution containing 2.5 M ammonium sulphate, 0.1 M sodium citrate pH 4.5 buffer, in a ratio of 1:3 and mixed by vortexing for 60 seconds. Microcrystals with a diameter of 5-15 microns grew at room temperature over a period of 4-6 days. |