7YXT

Crystal structure of human Indoleamine-2,3-dioxygenase 1 (hIDO1) with different conformations for G261-G265 fragment

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	2021-07-27
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	P 21 21 2
Unit cell lengths	81.040, 117.610, 217.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.070 - 2.480
R-factor	0.1993
Rwork	0.196
R-free	0.25860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7nge
RMSD bond length	0.009
RMSD bond angle	1.006
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.070	2.574
High resolution limit [Å]	2.480	2.485
Rmerge	0.168	1.460
Rmeas	0.175
Rpim	0.048	0.408
Number of reflections	73894	7203
<I/σ(I)>	11.01	1.73
Completeness [%]	99.7	98.66
Redundancy	13.3	13.5
CC(1/2)	0.998	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	298	Well: 0.1M KH2PO4/K2HPO4 buffer at pH 6.2 supplemented with 17% of PEG 3350 solution Protein: 5 mM HEPES/NaOH pH 7.6, 200 mM NaCl, 5 mM DTT