2C94
LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1,1 difluoropentane-1- 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 | 131.384, 81.251, 85.883 |
| Unit cell angles | 90.00, 120.25, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.900 |
| R-factor | 0.178 |
| Rwork | 0.175 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w19 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.415 |
| 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 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.050 | 0.360 |
| Number of reflections | 58728 | |
| <I/σ(I)> | 13.5 | 1.37 |
| Completeness [%] | 95.9 | 80.3 |
| Redundancy | 2 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.4 | pH 6.40 |
