4KDF

Crystal Structure of Thermus thermophilus Malate Dehydrogenase in Complex with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	96.601, 114.617, 144.077
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.270 - 2.356
R-factor	0.1847
Rwork	0.183
R-free	0.23160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kde
RMSD bond length	0.007
RMSD bond angle	1.035
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.270	2.440
High resolution limit [Å]	2.356	2.356
Number of reflections	66054
Completeness [%]	99.0	92.1
Redundancy	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	283	22.5% PEG 4000, 0.1M Tris-HCl, 0.2M MgCl2, pH 8.2, VAPOR DIFFUSION, SITTING DROP, temperature 283K