5MH6
D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with 2-ketohexanoic acid and NAD+ (1.35 A resolution)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97204 |
| Spacegroup name | P 1 |
| Unit cell lengths | 66.455, 75.008, 77.555 |
| Unit cell angles | 109.11, 107.55, 95.91 |
Refinement procedure
| Resolution | 46.540 - 1.350 |
| R-factor | 0.12817 |
| Rwork | 0.126 |
| R-free | 0.16174 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.502 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.540 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.061 | 0.462 |
| Number of reflections | 268611 | |
| <I/σ(I)> | 23.6 | 2.1 |
| Completeness [%] | 93.0 | 91.7 |
| Redundancy | 2.1 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 290 | Protein buffer: 20 mM Tris-HCl pH8, 3 mM EDTA and 1 M NaCl Crystallisation conditions: 0.1M Tris-HCl pH8, 0.5 M magnesium acetate and 20 % PEG3350 Ligands: 5 mM NAD+ and 50 mM 2-ketohexanoic acid |
