4P86
Structure of PyrR protein from Bacillus subtilis with GMP
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 | 2013-02-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 97.940, 77.530, 99.780 |
Unit cell angles | 90.00, 102.05, 90.00 |
Refinement procedure
Resolution | 54.580 - 1.930 |
R-factor | 0.18136 |
Rwork | 0.180 |
R-free | 0.21360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a3c |
RMSD bond length | 0.019 |
RMSD bond angle | 1.995 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.580 | 1.980 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.334 | |
Number of reflections | 50228 | |
<I/σ(I)> | 10.9 | 2.4 |
Completeness [%] | 96.4 | 96.9 |
Redundancy | 2.7 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 25.5% PEG 4000, 0.085 M Na Citrate pH 5.6, 0.17 M Ammonium Acetate, 15% Glycerol |