5MH5
D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with 2-keto-hexanoic acid and NADP+ (1.4 A resolution)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-06 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9507 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.530, 87.400, 66.100 |
Unit cell angles | 90.00, 96.34, 90.00 |
Refinement procedure
Resolution | 52.510 - 1.400 |
R-factor | 0.13746 |
Rwork | 0.136 |
R-free | 0.16701 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mh6 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.588 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.510 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.036 | 0.377 |
Number of reflections | 132820 | |
<I/σ(I)> | 15.4 | 2.4 |
Completeness [%] | 95.5 | 91.5 |
Redundancy | 7.7 | 8 |
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 condition: 0.1 M Tris-HCl pH8, 0.5 M magnesium acetate and 18 % PEG3350 Ligands: 5 mM NADP+ and 50 mM 2-keto-hexanoic acid |