9FOH

Crystal structure of human IDO1 in complex with iDeg-2

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-22
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.91840
Spacegroup name	P 21 21 2
Unit cell lengths	104.840, 110.420, 36.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.010 - 1.600
R-factor	0.1721
Rwork	0.171
R-free	0.18930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.759
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.010	38.010	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.133	0.054	2.384
Rmeas	0.139	0.057	2.500
Number of reflections	56433	729	4167
<I/σ(I)>	11.83
Completeness [%]	100.0
Redundancy	12.7
CC(1/2)	0.999	0.998	0.461

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.95	293	0.05 M MES, 39% v/v PEG200