8VHE

Crystal Structure of Human IDH1 R132Q in Complex with NADPH-TCEP Adduct

This is a non-PDB format compatible entry.

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	2021-06-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	.979180
Spacegroup name	P 1 21 1
Unit cell lengths	84.298, 107.348, 109.941
Unit cell angles	90.00, 99.19, 90.00

Refinement procedure

Resolution	108.530 - 2.160
R-factor	0.174
Rwork	0.171
R-free	0.22330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.884
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]	108.530	2.180
High resolution limit [Å]	2.160	2.160
Number of reflections	101627	1247
<I/σ(I)>	13
Completeness [%]	98.0
Redundancy	3
CC(1/2)	0.992	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	277.15	200 mM KSCN, 24% (w/v) PEG 6000, and 5 mM TCEP