9S1V

Crystal structure of human IDO1 in complex with iDeg-6

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.873
Spacegroup name	P 21 21 2
Unit cell lengths	106.780, 109.910, 36.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.150 - 1.850
R-factor	0.1866
Rwork	0.185
R-free	0.22170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.083
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.150	36.150	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.225	0.060	4.008
Rmeas	0.234	0.063	4.166
Number of reflections	37274	476	2762
<I/σ(I)>	9.23
Completeness [%]	99.8
Redundancy	7.1
CC(1/2)	0.998	0.999	0.337

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.05 M MES, 42.57 % v/v PEG200