6KDE

Crystal structure of the alpha beta heterodimer of human IDH3 in complex with Ca(2+)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	I 4
Unit cell lengths	166.200, 166.200, 128.132
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.367 - 2.999
R-factor	0.1965
Rwork	0.194
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5grh
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	3.110
High resolution limit [Å]	2.999	6.460	3.000
Rmerge	0.063	0.032	0.504
Rmeas	0.073	0.037	0.589
Rpim	0.036	0.018	0.297
Number of reflections	34725	3509	3464
<I/σ(I)>	6.1
Completeness [%]	99.4	98.3	99.4
Redundancy	3.8	3.8	3.6
CC(1/2)		0.999	0.836

Crystallization Conditions

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