9ESG

Holo IDO with a bound inhibitor

This is a non-PDB format compatible entry.

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	2017-09-16
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	85.070, 91.560, 129.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.780 - 2.497
R-factor	0.2649
Rwork	0.263
R-free	0.29850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.860
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	2.650
High resolution limit [Å]	2.500	2.500
Rmeas	0.184	3.610
Number of reflections	35638	5591
<I/σ(I)>	9.35	0.55
Completeness [%]	99.8
Redundancy	6.6
CC(1/2)	0.998	0.180

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10% w/v PEG 4000, 20% v/v glycerol, 0.1 M MOPS/HEPES-Na pH 7.5