7CJ2

Crystal structure of the Fab antibody complexed with human YKL-40

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	89.583, 132.526, 160.007
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.830 - 2.700
R-factor	0.2149
Rwork	0.212
R-free	0.26920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hjx 5veb
RMSD bond length	0.009
RMSD bond angle	1.050
Data reduction software	XDS (v1.0.5)
Data scaling software	XDS (v1.0.5)
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.830	2.480
High resolution limit [Å]	2.450	2.450
Rmerge	0.092	0.075
Rmeas	0.100
Rpim	0.038
Number of reflections	70738	70634
<I/σ(I)>	9.4
Completeness [%]	99.8
Redundancy	6.8
CC(1/2)	0.999	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	293.15	0.6M Sodium Chloride, 0.1M MES:NaOH, pH 6.5, 20% (w/v)PEG 4000, 1.0M NDSB-256