5GRE

Crystal structure of the alpha gamma heterodimer of human IDH3 in complex with Mg(2+), citrate and ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	104.910, 104.910, 146.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.430 - 2.650
R-factor	0.1971
Rwork	0.195
R-free	0.24140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gri
RMSD bond length	0.009
RMSD bond angle	1.347
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.740
High resolution limit [Å]	2.650	2.650
Number of reflections	27500
<I/σ(I)>	22.4
Completeness [%]	99.9
Redundancy	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.2 M sodium citrate, pH 8.0, 20% (w/v) PEG 3350