4PK5

Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with Amg-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-24
Detector	RAYONIX MX225HE
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	84.799, 90.414, 131.757
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.550 - 2.790
R-factor	0.18849
Rwork	0.185
R-free	0.25642
RMSD bond length	0.012
RMSD bond angle	1.725
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.560	2.850
High resolution limit [Å]	2.790	2.800
Rmerge	0.113	0.689
Number of reflections	25711
<I/σ(I)>	15	2.1
Completeness [%]	99.8	98.2
Redundancy	6.7	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	10% polyethylene glycol 20000, 2% Dioxane, 100 mM Bicine