8VH9

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	81.085, 81.085, 306.136
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.380 - 2.130
R-factor	0.1774
Rwork	0.175
R-free	0.21520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.999
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]	78.380	2.190
High resolution limit [Å]	2.130	2.130
Number of reflections	108848	4459
<I/σ(I)>	18.29
Completeness [%]	99.9
Redundancy	8.9
CC(1/2)	0.999	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277.15	200 mM ammonium citrate tribasic pH 7.0 and 26% (w/v) PEG 3350