3B18
Rv0098 of Mycobacterium tuberculosis with ordered loop between beta-4 and beta-5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-09-15 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 100.190, 100.190, 100.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.010 - 2.750 |
| R-factor | 0.22694 |
| Rwork | 0.224 |
| R-free | 0.27679 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pfc |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.712 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.100 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.091 | 0.760 |
| Number of reflections | 4502 | |
| <I/σ(I)> | 23.3 | 4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 16.1 | 16.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 5%-12% PEG 6000, 0.1M HEPES buffer, 5% MPD , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
