21OK

Crystal structure of the indoleamine 2,3-dioxygenagse 2 (IDO2) H143Y mutant complexed with 5-methoxy-L-Trp

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-11-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 31 2 1
Unit cell lengths	198.827, 198.827, 94.265
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.020 - 2.600
R-factor	0.2781
Rwork	0.276
R-free	0.31460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (("2.0_5885": ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.020	2.660
High resolution limit [Å]	2.600	2.600
Number of reflections	65917	4617
<I/σ(I)>	10.7
Completeness [%]	99.9
Redundancy	6.8
CC(1/2)	0.999	0.506

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	PEG 3350, Sodium citrate tribasic dihydrate