8VHC

Crystal Structure of Human IDH1 R132Q in complex with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	.979180
Spacegroup name	P 43 21 2
Unit cell lengths	82.884, 82.884, 303.926
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.960 - 2.440
R-factor	0.1946
Rwork	0.192
R-free	0.24010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.560
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]	79.960	2.530
High resolution limit [Å]	2.440	2.440
Number of reflections	80846	3910
<I/σ(I)>	22.37
Completeness [%]	99.6
Redundancy	2
CC(1/2)	0.999	0.621

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	100mM Bis-Tris, 220mM Ammonium Sulfate, and 20%(w/v) PEG 3350