2C92
LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) PENTANE 1 PHOSPHATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-06-26 |
| Detector | MARRESEACH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 131.370, 80.758, 85.965 |
| Unit cell angles | 90.00, 120.18, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.600 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w19 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.657 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.040 | 0.550 |
| Number of reflections | 103691 | |
| <I/σ(I)> | 12.4 | 1.37 |
| Completeness [%] | 85.8 | 80.3 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.41 | pH 6.41 |
