7E0O

Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 6-Bromo-1H-indazol-4-amine (1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	195
Detector technology	PIXEL
Collection date	2020-12-10
Detector	DECTRIS PILATUS3 X CdTe 1M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	85.594, 96.793, 130.983
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.492 - 3.337
R-factor	0.2205
Rwork	0.211
R-free	0.30180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5etw
RMSD bond length	0.019
RMSD bond angle	1.703
Data reduction software	AutoProcess
Data scaling software	Web-Ice
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.652	3.394
High resolution limit [Å]	3.337	3.337
Number of reflections	15866	10709
<I/σ(I)>	12.2
Completeness [%]	96.8
Redundancy	13.37
CC(1/2)	0.998	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	15% to 23% PEG 8000, 0.2M ammonium acetate