21OM

Crystal structure of the indoleamine 2,3-dioxygenagse 2 (IDO2) complexed with 5-hydroxy-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	197.960, 197.960, 93.921
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.290 - 2.680
R-factor	0.2957
Rwork	0.294
R-free	0.33350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.090
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]	48.820	2.750
High resolution limit [Å]	2.680	2.680
Number of reflections	59405	4588
<I/σ(I)>	10.7
Completeness [%]	99.7
Redundancy	7
CC(1/2)	0.999	0.540

Crystallization Conditions

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