4GQN
Crystallographic structure of trimeric Riboflavin Synthase from Brucella abortus in complex with 5-Nitro-6-(D-Ribitylamino)-2,4(1H,3H) Pyrimidinedione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-07-26 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.980110 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.850, 92.300, 99.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.090 - 1.850 |
R-factor | 0.2016 |
Rwork | 0.200 |
R-free | 0.23390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB 4E0F |
RMSD bond length | 0.007 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.960 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.075 | 0.773 |
Number of reflections | 55235 | |
<I/σ(I)> | 15.65 | 1.99 |
Completeness [%] | 99.6 | 98.7 |
Redundancy | 5.81 | 5.75 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 292 | 12% PEG 8000, 10% GLYCEROL, 0.5 M POTASSIUM CHLORIDE, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K |