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 |
