6WPE

HUMAN IDO1 IN COMPLEX WITH COMPOUND 4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92819
Spacegroup name	P 21 21 21
Unit cell lengths	86.463, 93.499, 131.358
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.170 - 2.430
R-factor	0.1988
Rwork	0.198
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	previously solved structure
RMSD bond length	0.007
RMSD bond angle	1.105
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.170	2.680
High resolution limit [Å]	2.430	2.430
Rmeas	0.040	0.403
Number of reflections	39371	10045
<I/σ(I)>	20.2	3.38
Completeness [%]	97.4	98.2
Redundancy	2.9	2.8
CC(1/2)	0.999	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 mM Tris pH 8.0, 20% (w/v) PEG6000, 0.2 M NaCl