6WJY

HUMAN IDO1 IN COMPLEX WITH COMPOUND 4-A

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	2017-09-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9999
Spacegroup name	P 21 21 21
Unit cell lengths	85.128, 91.433, 128.629
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.520 - 1.910
R-factor	0.1804
Rwork	0.180
R-free	0.20760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	previously solved complex
RMSD bond length	0.009
RMSD bond angle	1.195
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.520	2.160
High resolution limit [Å]	1.910	1.910
Rmeas	0.043	0.490
Number of reflections	75740	23514
<I/σ(I)>	17.57	2.8
Completeness [%]	96.5	98.2
Redundancy	3.8	3.8
CC(1/2)	0.999	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	0.1 mM Tris, 16% (w/v) PEG4000, 0.2 M NH4OAc