2QFX

Crystal structure of Saccharomyces cerevesiae mitochondrial NADP(+)-dependent isocitrate dehydrogenase in complex with NADPH, a-ketoglutarate and Ca(2+)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	95
Detector technology	CCD
Collection date	2006-11-17
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	P 1 2 1
Unit cell lengths	113.415, 99.630, 129.950
Unit cell angles	90.00, 111.21, 90.00

Refinement procedure

Resolution	49.730 - 2.700
Rwork	0.217
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qfw
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.049	0.540
Number of reflections	73998
<I/σ(I)>	15	3.2
Completeness [%]	98.6	97.6
Redundancy	5.2	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	293	100mM Tris-HCl, 25% PEG 4000, 0.2M Na-acetate, 4% 1,3-propanediol, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K