3LOG
Crystal structure of MbtI from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-06-05 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.870, 115.703, 93.893 |
| Unit cell angles | 90.00, 91.60, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.730 |
| R-factor | 0.183 |
| Rwork | 0.181 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g5f |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.590 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 93.660 | 1.790 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.061 | 0.507 |
| Number of reflections | 189003 | |
| <I/σ(I)> | 18 | 2.24 |
| Completeness [%] | 97.0 | 86.8 |
| Redundancy | 6.3 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 14% MPEG 5000, 0.2M succinic acid, KOH pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
