6IZJ
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 BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-12-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 109.914, 36.368, 36.545 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.960 - 2.100 |
| R-factor | 0.20726 |
| Rwork | 0.204 |
| R-free | 0.26573 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pau |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.739 |
| 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] | 54.960 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.074 | 0.377 |
| Number of reflections | 8537 | |
| <I/σ(I)> | 20.35 | |
| Completeness [%] | 93.4 | |
| Redundancy | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295.15 | sodium phosphate, PEG 8000 |
