5Y8I
Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + (S)-3-hydroxyisobutyrate (S-HIBA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2015-09-23 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 65 |
Unit cell lengths | 128.580, 128.580, 70.230 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 111.350 - 2.040 |
R-factor | 0.168 |
Rwork | 0.166 |
R-free | 0.20700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3obb |
RMSD bond length | 0.008 |
RMSD bond angle | 1.346 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 111.350 | 2.150 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.177 | |
Number of reflections | 41507 | 41507 |
<I/σ(I)> | 8.1 | 8.1 |
Completeness [%] | 98.2 | 98.2 |
Redundancy | 7.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.5 | 295 | 0.02M MgCl2.6H2O, 0.1M HEPES pH 7.5, 22% w/v polyacrylic acid sodium salt 5100 |