6E45

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	79.969, 196.538, 116.207
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.878 - 2.000
R-factor	0.1891
Rwork	0.189
R-free	0.22580
RMSD bond length	0.010
RMSD bond angle	1.047
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]	65.878	65.878	2.120
High resolution limit [Å]	2.000	5.970	2.000
Rmerge	0.094	0.032	0.802
Rmeas	0.105	0.037	0.901
Total number of observations	613205
Number of reflections	123961	5006	19273
<I/σ(I)>	10.55	30.77	1.88
Completeness [%]	99.4	99.6	96.8
Redundancy	4.947	4.758	4.825
CC(1/2)	0.998	0.999	0.790

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