8VHD

Crystal Structure of Human IDH1 R132Q in complex with NADPH and Isocitrate

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	84.408, 103.894, 108.272
Unit cell angles	90.00, 98.54, 90.00

Refinement procedure

Resolution	39.180 - 2.380
R-factor	0.1711
Rwork	0.169
R-free	0.21990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.454
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]	39.180	2.460
High resolution limit [Å]	2.380	2.380
Number of reflections	72042	6981
<I/σ(I)>	5.28
Completeness [%]	96.9
Redundancy	2
CC(1/2)	0.996	0.496

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	100mM Bis-tris propane, 200mM Sodium Iodide, 24%(w/v) PEG 3350