8VHB

Crystal Structure of Human IDH1 R132Q in complex with NADPH and Alpha-Ketoglutarate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-22
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	.97946
Spacegroup name	P 1 21 1
Unit cell lengths	84.404, 105.807, 109.782
Unit cell angles	90.00, 98.44, 90.00

Refinement procedure

Resolution	39.630 - 1.890
R-factor	0.1693
Rwork	0.167
R-free	0.20630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.912
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.630	1.960
High resolution limit [Å]	1.890	1.890
Number of reflections	148142	14617
<I/σ(I)>	12.71
Completeness [%]	97.1
Redundancy	1.9
CC(1/2)	0.999	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	277.15	200mM NaSCN and 21%(w/v) PEG 3350