3MAR

Crystal structure of homodimeric R132H mutant of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex with NADP

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]	100
Detector technology	CCD
Collection date	2009-03-30
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	83.099, 83.099, 306.116
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.410
R-factor	0.245
Rwork	0.245
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t09
RMSD bond length	0.011
RMSD bond angle	1.249
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.520
High resolution limit [Å]	3.400	3.400
Rmerge	0.183	0.561
Number of reflections	14215
<I/σ(I)>	5.2
Completeness [%]	91.2	87.6
Redundancy	4.4	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	277	1.0M Na2HPO4/KH2PO4, pH 8.2, vapor diffusion, hanging drop, temperature 277K