8KIB

NADP+-dependent cytosolic isocitrate dehydrogenase complexed with oxaloacetate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-07
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	98.512, 93.421, 111.108
Unit cell angles	90.00, 113.85, 90.00

Refinement procedure

Resolution	29.550 - 1.700
R-factor	0.1751
Rwork	0.175
R-free	0.20340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.875
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.550	1.770
High resolution limit [Å]	1.700	1.700
Number of reflections	202031	20124
<I/σ(I)>	28.5
Completeness [%]	99.9
Redundancy	4.1
CC(1/2)	0.996	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	PEG 4000, sodium citrate, magnesium chloride, oxaloacetate