4OER
Crystal structure of NikA from Brucella suis, unliganded form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Detector technology | PIXEL |
Collection date | 2012-02-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97627 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 176.020, 62.231, 114.483 |
Unit cell angles | 90.00, 105.30, 90.00 |
Refinement procedure
Resolution | 43.666 - 1.850 |
R-factor | 0.1867 |
Rwork | 0.185 |
R-free | 0.22170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zlq |
RMSD bond length | 0.007 |
RMSD bond angle | 1.106 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.670 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 99676 | |
<I/σ(I)> | 15.87 | 3.29 |
Completeness [%] | 97.4 | 93.1 |
Redundancy | 3.4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 1.7 M ammonium sulfate, 0.1 M Tris pH 8.5, 25 mM MgSO4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |