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 |
