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 |