6E44

CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) free enzyme in the ferric state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	80.082, 196.995, 116.242
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.038 - 1.903
R-factor	0.1947
Rwork	0.194
R-free	0.23470
RMSD bond length	0.011
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.038	47.038	2.020
High resolution limit [Å]	1.900	5.670	1.900
Rmerge	0.060	0.024	0.636
Rmeas	0.071	0.028	0.742
Total number of observations	533366
Number of reflections	143553	5728	22833
<I/σ(I)>	12.26	34.18	1.86
Completeness [%]	99.4	98.4	98.9
Redundancy	3.715	3.54	3.798
CC(1/2)	0.999	0.999	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.2	298	0.1 M phosphate (pH 6.2), and 15% (w/v) PEG3350