3GVH

Crystal structure of Lactate/malate dehydrogenase from Brucella melitensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-25
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	91.750, 114.350, 148.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.000 - 2.300
R-factor	0.176
Rwork	0.174
R-free	0.21800
Structure solution method	MR
Starting model (for MR)	1sow modified with ccp4 program chainsaw
RMSD bond length	0.018
RMSD bond angle	1.585
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.620	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.097	0.610
Number of reflections	69983
<I/σ(I)>	16.9	2.1
Completeness [%]	99.8	99.8
Redundancy	6.3	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	JCSG+ SCREEN, D12: 40MM K-PO4, 16% PEG 8000, 20% GLYCEROL, BRABA.00005.A AT 28.5MG/ML, VAPOR DIFFUSION, SITTING DROP, temperature 290K