21OO

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

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	2025-12-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 31 2 1
Unit cell lengths	199.106, 199.106, 94.456
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.100 - 2.550
R-factor	0.2044
Rwork	0.203
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.103
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]	49.100	2.610
High resolution limit [Å]	2.550	2.550
Number of reflections	70087	4479
<I/σ(I)>	12.2
Completeness [%]	99.8
Redundancy	7
CC(1/2)	0.998	0.609

Crystallization Conditions

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