3GVI

Crystal structure of Lactate/malate dehydrogenase from Brucella melitensis in complex with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-19
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 21 21 2
Unit cell lengths	107.390, 193.900, 102.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	193.000 - 2.250
R-factor	0.177
Rwork	0.174
R-free	0.22800
Structure solution method	MR
Starting model (for MR)	3gvh
RMSD bond length	0.017
RMSD bond angle	1.525
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]	193.900	2.310
High resolution limit [Å]	2.250	2.250
Rmerge	0.051	0.152
Number of reflections	99622
<I/σ(I)>	18.82	5.6
Completeness [%]	97.3	83.7
Redundancy	4.2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290	JCSG+ SCREEN, H3: 25% PEG 3350, 100MM BISTRIS, BRABA.00005.A AT 28.5MG/ML, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K