6V52

IDO1 IN COMPLEX WITH COMPOUND 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-13
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	85.245, 90.448, 130.034
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.250 - 1.780
R-factor	0.1927
Rwork	0.192
R-free	0.21950
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.405
Data scaling software	XSCALE
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.250	2.030
High resolution limit [Å]	1.780	1.780
Rmerge	0.029	0.326
Rmeas	0.034
Number of reflections	93269	323
<I/σ(I)>	24.82
Completeness [%]	96.4	97.6
Redundancy	3.7	3.6
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	from commercial screen