6K2H
structural characterization of mutated NreA protein in nitrate binding site from staphylococcus aureus.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-17 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.978 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 35.000, 106.302, 33.726 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.800 |
R-factor | 0.17766 |
Rwork | 0.175 |
R-free | 0.22195 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pau |
RMSD bond length | 0.020 |
RMSD bond angle | 1.864 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.096 | 0.455 |
Number of reflections | 12171 | 150995 |
<I/σ(I)> | 4.5 | |
Completeness [%] | 100.0 | |
Redundancy | 12.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295.15 | HEPES, PEG monomethyl ether 10,000 |