2X0J

2.8 A RESOLUTION STRUCTURE OF MALATE DEHYDROGENASE FROM ARCHAEOGLOBUS FULGIDUS IN COMPLEX WITH ETHENO-NAD

Replaces:  1OJU

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	112.990, 112.990, 70.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.731 - 2.786
R-factor	0.167
Rwork	0.164
R-free	0.21650
Structure solution method	OTHER
RMSD bond length	0.009
RMSD bond angle	1.249
Data reduction software	XDS
Data scaling software	BIOMOL
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.800	2.890
High resolution limit [Å]	2.790	2.790
Rmerge	0.050	0.150
Number of reflections	10861
<I/σ(I)>	43.5	12.7
Completeness [%]	90.9	71
Redundancy	15.5	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4		INITIAL PROTEIN DROPLET: 22 MG/ML PROTEIN, 10 MM ETHENO-NAD RESERVOIR: 1.6 % (W/V) POLYETHYLENE GLYCOL 8000, 0.8 M LISO4 DROPLET: EQUAL VOLUMES OF INITIAL PROTEIN DROPLET AND RESERVOIR, pH 4.0