3D5T

Crystal structure of malate dehydrogenase from Burkholderia pseudomallei

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	2008-04-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03317
Spacegroup name	P 21 21 21
Unit cell lengths	59.387, 79.608, 288.874
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.620 - 2.510
R-factor	0.181
Rwork	0.178
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y7t
RMSD bond length	0.018
RMSD bond angle	1.804
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.109	0.046	0.437
Number of reflections	42919
<I/σ(I)>	10.4		2.5
Completeness [%]	89.7	96.9	80.1
Redundancy	3.7	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.71	289	0.1 M Tris-HCl pH 7.71, 32% PEG 4000, 0.2 M MgCl2, 34.5 mg/mL Protein, VAPOR DIFFUSION, SITTING DROP, temperature 289K