6ITK

Crystal structure of malate dehydrogenase from Corynebacterium glutamicum ATCC 13032 in complex with NAD and malate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-18
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	C 1 2 1
Unit cell lengths	102.931, 116.940, 66.003
Unit cell angles	90.00, 95.31, 90.00

Refinement procedure

Resolution	26.730 - 2.000
R-factor	0.1918
Rwork	0.190
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tvo
RMSD bond length	0.010
RMSD bond angle	1.624
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.080	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.123	0.390
Number of reflections	50050	2392
<I/σ(I)>	18
Completeness [%]	96.3	93
Redundancy	2.7
CC(1/2)		0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	PEG 3350, HEPES, MgCl2