1PJ2

Crystal structure of human mitochondrial NAD(P)+-dependent malic enzyme in a pentary complex with natural substrate malate, cofactor NADH, Mn++, and allosteric activator fumarate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-10-04
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97897
Spacegroup name	C 1 2 1
Unit cell lengths	227.283, 117.345, 113.024
Unit cell angles	90.00, 109.79, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.205
Rwork	0.205
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	COMO
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.083	0.203
Number of reflections	117757
<I/σ(I)>	10
Completeness [%]	95.0	84.8
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	12% PEG3350, 100 mM Bis-Tris 6.5, 0.1 M L-malate, VAPOR DIFFUSION, HANGING DROP, temperature 277K