5Y8O
Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD + 3-Hydroxy propionate (3-HP)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2017-08-10 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 65 |
| Unit cell lengths | 129.060, 129.060, 70.130 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 111.770 - 2.050 |
| R-factor | 0.17819 |
| Rwork | 0.176 |
| R-free | 0.22508 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3obb |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.619 |
| 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] | 111.770 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.160 | 0.160 |
| Number of reflections | 41484 | 41484 |
| <I/σ(I)> | 6 | 6 |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 295 | 0.02M MgCl2.6H2O, 0.1M HEPES pH 7.5, 22% w/v polyacrylic acid sodium salt 5100 |
