4P81
Structure of ancestral PyrR protein (AncORANGEPyrR)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.910, 102.300, 107.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.170 - 1.800 |
| R-factor | 0.18378 |
| Rwork | 0.182 |
| R-free | 0.22378 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a3c |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.823 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.900 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.646 | |
| Number of reflections | 55721 | |
| <I/σ(I)> | 7.6 | 1.6 |
| Completeness [%] | 94.8 | 96 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 20% PEG-300, 10% glycerol, 0.1M Tris pH 8.5, 5% PEG-8000 |
