2VI5
LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO N-6-(ribitylamino)pyrimidine-2,4(1H,3H)-dione-5-yl-propionamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-07 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 77.033, 76.692, 86.254 |
| Unit cell angles | 64.32, 64.41, 63.60 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.262 |
| Rwork | 0.260 |
| R-free | 0.29900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w19 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.041 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.080 | 0.440 |
| Number of reflections | 62709 | |
| <I/σ(I)> | 6.9 | 1.3 |
| Completeness [%] | 97.7 | 96.4 |
| Redundancy | 2.7 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
