3QD8
Crystal structure of Mycobacterium tuberculosis BfrB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-05-21 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 226.068, 226.184, 113.693 |
| Unit cell angles | 90.00, 94.44, 90.00 |
Refinement procedure
| Resolution | 31.985 - 3.000 |
| R-factor | 0.2105 |
| Rwork | 0.210 |
| R-free | 0.23610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vlg |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.058 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.5_2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.985 | 3.100 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.130 | 0.250 |
| Number of reflections | 92122 | |
| <I/σ(I)> | 7.8 | 3.1 |
| Redundancy | 2.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293.15 | 20% PEG 3350, 100mM Tris-HCl, pH 8.5, vapor diffusion, hanging drop, temperature 293.15K |
