4G6I
Crystallographic structure of trimeric riboflavin synthase from Brucella abortus in complex with roseoflavin
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 | 2012-05-13 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.980110 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.040, 92.570, 102.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.290 - 1.780 |
| R-factor | 0.2415 |
| Rwork | 0.240 |
| R-free | 0.27278 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 4E0F |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.945 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.890 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.026 | 0.514 |
| Number of reflections | 60197 | |
| <I/σ(I)> | 21.24 | 2.1 |
| Completeness [%] | 96.1 | 95.3 |
| Redundancy | 2.96 | 2.97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | 12% PEG 8000, 10% GLYCEROL, 0.5 M POTASSIUM CHLORIDE, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
