4IUK
Crystal structure of NreA of Staphylococcus carnosus with bound nitrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-12-09 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 85.660, 85.660, 91.340 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.830 - 2.350 |
R-factor | 0.2168 |
Rwork | 0.213 |
R-free | 0.25240 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.854 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.830 | 2.410 |
High resolution limit [Å] | 2.350 | 2.350 |
Number of reflections | 14713 | |
Completeness [%] | 99.9 | 99.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 12.5 % (w/v) PEG 1.000, 12.5 % (w/v) PEG 3350, 12.5 % (v/v) 2-methyl-2,4-pentanediol, 0.03 M sodium nitrate, 0.03 M disodium hydrogen phosphate, 0.03 M ammonium sulfate, 0.1 M bicine/Trizma base, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |