6IZK
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 | 2018-01-24 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.978 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.072, 38.782, 70.574 |
Unit cell angles | 90.00, 91.57, 90.00 |
Refinement procedure
Resolution | 70.550 - 2.290 |
R-factor | 0.19104 |
Rwork | 0.188 |
R-free | 0.24561 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pau |
RMSD bond length | 0.015 |
RMSD bond angle | 1.762 |
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] | 70.550 | 2.380 |
High resolution limit [Å] | 2.290 | 2.300 |
Rmerge | 0.090 | 0.294 |
Number of reflections | 16671 | |
<I/σ(I)> | 13.7 | |
Completeness [%] | 95.8 | |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295.15 | K/Na tartrate, Imidazole, NaCl |