6KE3

Crystal structure of the alpha bata heterodimer of human IDH3 in complex with NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	99.365, 162.669, 114.776
Unit cell angles	90.00, 100.38, 90.00

Refinement procedure

Resolution	42.164 - 3.307
R-factor	0.2527
Rwork	0.250
R-free	0.29940
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.420
High resolution limit [Å]	3.300	7.100	3.300
Rmerge	0.113	0.049	0.541
Rmeas	0.128	0.056	0.613
Rpim	0.060	0.027	0.279
Total number of observations	211050
Number of reflections	48488	5275	4775
<I/σ(I)>	7.9
Completeness [%]	91.3	97.6	89.9
Redundancy	4.4	4.3	4.6
CC(1/2)		0.996	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.05M a-KG,0.05M NADH, 0.2 M calcium acetate (pH 7.5) and 20% (w/v) PEG3350