8R41

Structure of CHI3L1 in complex with inhibitor 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918
Spacegroup name	I 21 21 21
Unit cell lengths	109.360, 122.250, 136.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.570 - 2.250
R-factor	0.2068
Rwork	0.205
R-free	0.23420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.655
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.700	2.390
High resolution limit [Å]	2.250	2.250
Number of reflections	43020	6818
<I/σ(I)>	16.3
Completeness [%]	98.2
Redundancy	3.8
CC(1/2)	0.999	0.544

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	17% (v/w) PEG 4000, 0.1 M sodium citrate pH 4.6, 0.2 M ammonium sulfate and 0.1 M DTT