5Y8L
Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD +(S)-3-hydroxyisobutyrate (S-HIBA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER D8 QUEST |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2015-09-25 |
Detector | Bruker PHOTON II |
Wavelength(s) | 0.95372 |
Spacegroup name | P 65 |
Unit cell lengths | 128.790, 128.790, 70.220 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 111.540 - 1.850 |
R-factor | 0.144 |
Rwork | 0.142 |
R-free | 0.18300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3obb |
RMSD bond length | 0.019 |
RMSD bond angle | 1.940 |
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] | 111.540 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.161 | 0.161 |
Number of reflections | 56709 | 56709 |
<I/σ(I)> | 7.6 | 7.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.3 |
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 |