4E0F
Crystallographic structure of trimeric Riboflavin Synthase from Brucella abortus in complex with riboflavin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-08 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.980, 91.820, 98.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.250 - 2.850 |
| R-factor | 0.21812 |
| Rwork | 0.216 |
| R-free | 0.26705 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Monomer from PDB entry 1I8D |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.937 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.250 | 3.000 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.123 | 0.385 |
| Number of reflections | 15167 | |
| <I/σ(I)> | 5.9 | 1.9 |
| Completeness [%] | 98.7 | 98.6 |
| Redundancy | 8.6 | 8.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 292 | 12% PEG 8000, 10% Glycerol, 0.5M Potassium Chloride, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
