7P0N

Crystal structure of L-Trp/Indoleamine 2,3-dioxygenagse 1 (hIDO1) complex with the JK-loop refined in the open conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-05
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.98012
Spacegroup name	P 21 21 2
Unit cell lengths	81.360, 114.570, 220.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.290 - 2.500
R-factor	0.2182
Rwork	0.215
R-free	0.27880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7a62
RMSD bond length	0.009
RMSD bond angle	1.121
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.290	2.593
High resolution limit [Å]	2.500	2.504
Number of reflections	71786	7022
<I/σ(I)>	6.7	0.95
Completeness [%]	99.3	97.88
Redundancy	7
CC(1/2)	0.995	0.606

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	298	14.5% PEG 3350 0.1M Phosphate buffer 2mM L-Trp Protein buffer : Hepes 5mM, 200mM NaCl, 5mM DTT Cryoprotection: 20 mM sodium dithionite, 20% glycerol