2C97
LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 4-(6- chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)butyl phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-07-16 |
| Detector | MARRESEACH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 131.640, 82.244, 86.346 |
| Unit cell angles | 90.00, 120.53, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.000 |
| R-factor | 0.15 |
| Rwork | 0.146 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w19 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.409 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.020 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.110 | 0.520 |
| Number of reflections | 51716 | |
| <I/σ(I)> | 8.2 | 1.62 |
| Completeness [%] | 96.5 | 71.7 |
| Redundancy | 3.4 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.4 | pH 6.40 |
