5UJK

Malate dehydrogenase from Methylobacterium extorquens, complexed with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-10
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 64 2 2
Unit cell lengths	108.189, 108.189, 104.321
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.090 - 1.530
R-factor	0.12628
Rwork	0.124
R-free	0.17726
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rop
RMSD bond length	0.019
RMSD bond angle	1.791
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.090	1.560
High resolution limit [Å]	1.530	1.530
Rmerge	0.108	0.800
Rpim	0.033	0.357
Number of reflections	54696	2651
<I/σ(I)>	12.1	2.2
Completeness [%]	100.0	99.8
Redundancy	10.6	9
CC(1/2)	0.998	0.733

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	25-28% PEG400, 180-220mM CaCl2, 0.1M Hepes pH 7.5, soaked with 1mM NAD