6KDF

Crystal structure of the alpha beta heterodimer of human IDH3 in APO form.

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	2018-06-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9789
Spacegroup name	C 1 2 1
Unit cell lengths	208.913, 170.434, 208.094
Unit cell angles	90.00, 103.43, 90.00

Refinement procedure

Resolution	49.750 - 3.050
R-factor	0.1798
Rwork	0.177
R-free	0.22710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kde
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	3.170
High resolution limit [Å]	3.050	6.590	3.060
Rmerge	0.134	0.048	1.040
Rmeas	0.145	0.052	1.136
Rpim	0.055	0.020	0.451
Number of reflections	134178	13590	13323
<I/σ(I)>	6.3
Completeness [%]	99.9	99.8	99.9
Redundancy	6.8	6.8	6.3
CC(1/2)		0.998	0.628

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	8% (v/v) tacsimate (pH 6.0) and 20% (w/v) PEG3350