7AOB

Crystal structure of Thermaerobacter marianensis malate dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979968
Spacegroup name	P 21 21 21
Unit cell lengths	69.910, 150.480, 153.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.940 - 2.120
R-factor	0.164
Rwork	0.162
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nep
RMSD bond length	0.009
RMSD bond angle	1.483
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.940	2.250
High resolution limit [Å]	2.120	2.120
Number of reflections	86293	14044
<I/σ(I)>	11.8	3.88
Completeness [%]	93.0	93.8
Redundancy	3
CC(1/2)	0.990	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	20% PEG 20K, 100 mM pH 7,0, 5% glycerol