6ITL

Crystal structure of malate dehydrogenase from Mannheimia succiniciproducens in complex with NAD

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	2017-12-17
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 64 2 2
Unit cell lengths	80.089, 80.089, 193.150
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.030 - 1.970
R-factor	0.1741
Rwork	0.172
R-free	0.21680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bal
RMSD bond length	0.011
RMSD bond angle	1.790
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.030	2.010
High resolution limit [Å]	1.970	1.970
Rmerge	0.072	0.283
Number of reflections	26683	1321
<I/σ(I)>	54.6	11
Completeness [%]	99.7	99.8
Redundancy	11.7
CC(1/2)	0.988	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	PEG 3350, Tacsimate