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 |