9UZ1

Crystal structure of the indoleamine 2,3-dioxygenagse 2 (IDO2) H143Y mutant complexed with 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	2024-11-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 31 2 1
Unit cell lengths	196.787, 196.787, 93.605
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.560 - 2.350
R-factor	0.2065
Rwork	0.205
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.215
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.560	2.390
High resolution limit [Å]	2.350	2.350
Rmerge	0.107
Rmeas	0.115
Number of reflections	86600	8552
<I/σ(I)>	9.7
Completeness [%]	99.9
Redundancy	6.8
CC(1/2)	0.999	0.583

Crystallization Conditions

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