4P84
Structure of engineered PyrR protein (VIOLET PyrR)
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 | 2013-06-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 53.770, 56.400, 60.165 |
| Unit cell angles | 90.00, 97.32, 90.00 |
Refinement procedure
| Resolution | 42.550 - 2.200 |
| R-factor | 0.20767 |
| Rwork | 0.205 |
| R-free | 0.26950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a3c |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.768 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.550 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.382 | |
| Number of reflections | 8535 | |
| <I/σ(I)> | 3.1 | 2.2 |
| Completeness [%] | 98.4 | 98 |
| Redundancy | 2.6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 30% PEG-600, 10% glycerol, 0.1M Tris pH 7.0, 0.5 M (NH4)2SO4 |
