10KA

Co-crystal Structure of CHI3L1 bound to DELC2 small molecule ligand

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-09-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97934
Spacegroup name	P 43 21 2
Unit cell lengths	104.015, 104.015, 161.678
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.900 - 2.470
R-factor	0.221
Rwork	0.219
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.814
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.900	2.710
High resolution limit [Å]	2.470	2.570
Rmerge	0.294	4.266
Rmeas	0.304	4.400
Rpim	0.074	1.070
Total number of observations		69867
Number of reflections	32371	4151
<I/σ(I)>	7.7	1
Completeness [%]	100.0
Redundancy	17	16.8
CC(1/2)	0.993	0.455

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1 M HEPES, pH 7.0, 10% (w/v) PEG 6,000