8GRG

Crystal structure of a constitutively active mutant of the alpha gamma heterodimer of human IDH3

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	2017-05-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	137.513, 73.527, 86.618
Unit cell angles	90.00, 107.36, 90.00

Refinement procedure

Resolution	37.312 - 2.699
R-factor	0.185
Rwork	0.184
R-free	0.20980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5grh
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.14_3260)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.699	5.810	2.700
Rmerge	0.123	0.087	0.484
Rmeas	0.132	0.094	0.520
Rpim	0.049	0.036	0.189
Number of reflections	22588	2308	2224
<I/σ(I)>	11
Completeness [%]	99.8	98.4	99.9
Redundancy	7.4	7.2	7.5
CC(1/2)		0.992	0.947

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.1 M MES (pH 6.0) and 20% (w/v) PEG MME 2000