9FOZ

Cocrystal structure of IDO with a bound inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-21
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.885
Spacegroup name	P 21 21 21
Unit cell lengths	84.922, 92.293, 131.637
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.480 - 1.694
R-factor	0.2184
Rwork	0.217
R-free	0.23880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.950
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.570	1.842
High resolution limit [Å]	1.694	1.694
Rmerge	0.148	1.550
Rmeas	0.155	1.613
Number of reflections	82644	4132
<I/σ(I)>	7.7	1.6
Completeness [%]	95.8
Redundancy	10.6
CC(1/2)	0.994	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Morpheus screen 1, condition B11