7P0R

Crystal structure of L-Trp/Indoleamine 2,3-dioxygenase (hIDO1) complex with the JK-loop refined in the intermediate 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	80.890, 115.720, 217.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.220 - 2.500
R-factor	0.2213
Rwork	0.218
R-free	0.28510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7a62
RMSD bond length	0.009
RMSD bond angle	1.082
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]	49.220	2.589
High resolution limit [Å]	2.500	2.500
Number of reflections	71454	7008
<I/σ(I)>	7.21	0.79
Completeness [%]	99.7	99.42
Redundancy	7.21
CC(1/2)	0.997	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	0.1M Phosphate buffer 15.4% PEG 3350 Protein buffer : 5mM Hepes, 200 mM NaCl, 5 mM DTT Cryoprotection : 20% glycerol, 20 mM sodium dithionite