4P82
Structure of PyrR protein from Bacillus subtilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-05-06 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.540, 57.600, 54.770 |
| Unit cell angles | 90.00, 128.39, 90.00 |
Refinement procedure
| Resolution | 42.930 - 1.300 |
| R-factor | 0.18014 |
| Rwork | 0.179 |
| R-free | 0.20571 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a3c |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.398 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.930 | 1.330 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.453 | |
| Number of reflections | 42730 | |
| <I/σ(I)> | 9.5 | 2.3 |
| Completeness [%] | 98.2 | 96.1 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 2.5 M NaCl, 0.1M Acetate pH 4.5, 0.2M Li2SO4 |
