9S1U

Crystal structure of human IDO1 in complex with iDeg-3

This is a non-PDB format compatible entry.

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	2022-10-31
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	104.720, 110.070, 36.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.720 - 2.000
R-factor	0.1959
Rwork	0.194
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.786
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]	48.720	48.720	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.149	0.034	2.194
Rmeas	0.155	0.036	2.283
Number of reflections	29102	384	2117
<I/σ(I)>	12.46
Completeness [%]	100.0
Redundancy	7.2
CC(1/2)	0.999	1.000	0.543

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.81	293	0.05 M MES, 42 % v/v PEG200