8ABX

Crystal structure of IDO1 in complex with Apoxidole-1

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	2022-04-28
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	106.480, 109.490, 36.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.170 - 1.650
R-factor	0.193
Rwork	0.192
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 4x60
Data reduction software	XDS (20220220)
Data scaling software	XSCALE (20220220)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1-4487_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.170	38.170	1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge	0.142	0.111	1.452
Rmeas	0.157	0.125	1.597
Total number of observations	290033
Number of reflections	51920	674	3749
<I/σ(I)>	6.34	12.79	0.91
Completeness [%]	99.6	98.8	99.5
Redundancy	5.586	4.914	5.708
CC(1/2)	0.986	0.980	0.408

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	40% PEG200, 100mM MES