7AH5

Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0706

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-19
Detector	PSI PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	84.988, 93.106, 130.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.553 - 2.900
R-factor	0.2366
Rwork	0.231
R-free	0.29220
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]	46.553	3.010
High resolution limit [Å]	2.900	2.900
Rmeas	0.104	0.984
Number of reflections	23435	16564
<I/σ(I)>	13.6
Completeness [%]	99.2
Redundancy	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	10% PEG 8000, 10% PEG 1000, 0.2 M Potassium thiocyanate, 0.1 M Tris pH 7.5