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