7ZV3

Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0472

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	2018-04-12
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	86.650, 97.419, 131.996
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.709 - 2.551
R-factor	0.1937
Rwork	0.191
R-free	0.24090
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]	48.710	2.710
High resolution limit [Å]	2.551	2.551
Rmeas	0.082	0.768
Number of reflections	402628	11032
<I/σ(I)>	15.2	1.89
Completeness [%]	99.5
Redundancy	5.76

Crystallization Conditions

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