1WZE

Structural basis for alteration of cofactor specificity of Malate dehydrogenase from Thermus flavus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	95
Detector technology	CCD
Collection date	2003-06-03
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	70.400, 84.940, 116.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.160 - 2.000
R-factor	0.193
Rwork	0.193
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bmd
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.160	2.130
High resolution limit [Å]	2.000	2.000
Rmerge	0.049
Number of reflections	43099
Completeness [%]	90.1	84.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	PEG 4000, dithiothreitol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K