3KHP
Crystal structure of a possible dehydrogenase from Mycobacterium tuberculosis at 2.3A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-16 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.290, 135.170, 162.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.300 |
| R-factor | 0.209 |
| Rwork | 0.206 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s9c modified with ccp4 program chainsaw |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.565 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0104) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.095 | 0.514 |
| Number of reflections | 62471 | |
| <I/σ(I)> | 18.74 | 3.7 |
| Completeness [%] | 97.9 | 80.4 |
| Redundancy | 7.1 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 290 | Wizard screen condition g12, 1M Na/K tartrate, 100mM MES pH 6.0, MYTUD.00504.A AT 56MG/ml, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
