7AH4

Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0363

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-17
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	86.571, 97.422, 131.739
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.711 - 2.401
R-factor	0.2157
Rwork	0.214
R-free	0.24870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2d0t
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.711	2.490
High resolution limit [Å]	2.401	2.401
Rmeas	0.058	0.706
Number of reflections	44167	30540
<I/σ(I)>	23.67
Completeness [%]	99.9
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	15% PEG 4000, 0.1 M Tris pH 7.5, 0.2 M Magnesium chloride hexahydrate