1T09

Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-03-25
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9791
Spacegroup name	P 43 21 2
Unit cell lengths	82.710, 82.710, 308.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.940 - 2.700
R-factor	0.21
Rwork	0.210
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lwd
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.103	0.386
Number of reflections	30445
<I/σ(I)>	10.2	6.3
Completeness [%]	99.8	99.8
Redundancy	9.1	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	PEG 20000, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K