8U5I

Crystal Structure of human IDO1 bound to Compound 23

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	2017-04-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	84.862, 89.888, 133.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.310 - 2.170
R-factor	0.17795
Rwork	0.177
R-free	0.21923
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.212
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.310	45.310	2.420
High resolution limit [Å]	2.170	14.210	2.170
Rmerge	0.071	0.025	0.443
Rmeas	0.078	0.028	0.487
Number of reflections	53451	203	14886
<I/σ(I)>	17.71
Completeness [%]	97.7
Redundancy	5.6
CC(1/2)	0.999	0.998	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	20% (w/v) PEG 6K, 0.10M TRIS/HCl pH=8.0