9UYZ

Crystal structure of the indoleamine 2,3-dioxygenagse 2 (IDO2) complexed with 5-HT

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	2024-05-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 31 2 1
Unit cell lengths	197.638, 197.638, 93.755
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.710 - 2.450
R-factor	0.2333
Rwork	0.232
R-free	0.26360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.165
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]	43.710	2.540
High resolution limit [Å]	2.450	2.450
Number of reflections	77336	7683
<I/σ(I)>	10.8
Completeness [%]	99.9
Redundancy	7
CC(1/2)	0.999	0.588

Crystallization Conditions

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