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 |
