2C9D
Lumazine Synthase from Mycobacterium tuberculosis Bound to 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL)HEXANE 1-PHOSPHATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ROTATING ANODE |
| Temperature [K] | 105 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-05-10 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 79.955, 79.959, 88.352 |
| Unit cell angles | 64.27, 64.39, 62.81 |
Refinement procedure
| Resolution | 12.000 - 2.800 |
| R-factor | 0.262 |
| Rwork | 0.259 |
| R-free | 0.32600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w19 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.338 |
| 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 | 2.860 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.120 | 0.570 |
| Number of reflections | 77471 | |
| <I/σ(I)> | 4 | 1.24 |
| Completeness [%] | 84.0 | 80.9 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.4 | pH 6.40 |
