4P86
Structure of PyrR protein from Bacillus subtilis with GMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.940, 77.530, 99.780 |
| Unit cell angles | 90.00, 102.05, 90.00 |
Refinement procedure
| Resolution | 54.580 - 1.930 |
| R-factor | 0.18136 |
| Rwork | 0.180 |
| R-free | 0.21360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a3c |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.995 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.580 | 1.980 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.334 | |
| Number of reflections | 50228 | |
| <I/σ(I)> | 10.9 | 2.4 |
| Completeness [%] | 96.4 | 96.9 |
| Redundancy | 2.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 25.5% PEG 4000, 0.085 M Na Citrate pH 5.6, 0.17 M Ammonium Acetate, 15% Glycerol |
