7RRB

IDO1 IN COMPLEX WITH COMPOUND 9

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	2017-03-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	86.099, 94.724, 129.154
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.380 - 2.690
R-factor	0.2102
Rwork	0.209
R-free	0.24530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.229
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.380	2.940
High resolution limit [Å]	2.690	2.690
Rmeas	0.046	0.510
Number of reflections	29832	6890
<I/σ(I)>	20.32	2.84
Completeness [%]	99.4	99.6
Redundancy	3.7	3.8
CC(1/2)	0.999	0.998

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