4P83
Structure of engineered PyrR protein (PURPLE PyrR)
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 | 2013-05-28 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 77.150, 77.150, 286.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.500 - 2.500 |
| R-factor | 0.20401 |
| Rwork | 0.202 |
| R-free | 0.25122 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a3c |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.867 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.590 | 2.610 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 1.166 | |
| Number of reflections | 29162 | |
| <I/σ(I)> | 10.9 | 2.4 |
| Completeness [%] | 99.0 | |
| Redundancy | 11.9 | 12.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 15% PEG 4000, 0.1 M Tris HCl pH 8.5, 0.2 M Magnesium Chloride |
