7CE3

Crystal structure of human IDH3 holoenzyme in APO form.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	77
Detector technology	PIXEL
Collection date	2019-06-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	I 41 2 2
Unit cell lengths	204.568, 204.568, 237.877
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.339 - 3.472
R-factor	0.2147
Rwork	0.213
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kdy
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.590
High resolution limit [Å]	3.470	7.470	3.470
Rmerge	0.101	0.020	1.875
Rmeas	0.105	0.021	1.931
Rpim	0.025	0.005	0.456
Total number of observations	585722
Number of reflections	32854	3478	3242
<I/σ(I)>	8.1
Completeness [%]	100.0	99.9	100
Redundancy	17.8	16.3	17.8
CC(1/2)		1.000	0.676

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.05M NH4Cl, 0.05M Bis-Tris, pH 6.5, 30% pentaerythritol ethoxylate