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 |