2O6H
Lumazine synthase RibH1 from Brucella melitensis (Gene BMEI1187, Swiss-Prot entry Q8YGH2) complexed with inhibitor 5-Nitro-6-(D-Ribitylamino)-2,4(1H,3H) Pyrimidinedione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9A |
| Synchrotron site | NSLS |
| Beamline | X9A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-26 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 97.649, 97.649, 175.400 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.800 - 2.700 |
| R-factor | 0.2131 |
| Rwork | 0.210 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f59 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.236 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.800 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.100 | 0.313 |
| Number of reflections | 22799 | |
| <I/σ(I)> | 5.8 | 2.2 |
| Completeness [%] | 83.5 | 82.3 |
| Redundancy | 3.9 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 292 | 22% PEG 400, 0.2M CaCl2, 0.1M MES, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
