8RKI

Molecular basis of ZP3/ZP1 heteropolymerization: crystal structure of a native vertebrate egg coat filament fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.07227
Spacegroup name	P 31 2 1
Unit cell lengths	108.350, 108.350, 255.070
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	88.060 - 4.200
R-factor	0.3305
Rwork	0.329
R-free	0.36770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold2 models
RMSD bond length	0.003
RMSD bond angle	0.629
Data reduction software	XDS (Feb 5, 2021 BUILT=20210323)
Data scaling software	XSCALE (Feb 5, 2021 BUILT=20210323)
Phasing software	PHASER (2.8.3)
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.060	4.524
High resolution limit [Å]	4.200	4.200
Rmerge	0.207	2.457
Rmeas	0.224	2.649
Rpim	0.085	0.965
Number of reflections	13155	2583
<I/σ(I)>	4.42	0.81
Completeness [%]	98.5	99.2
Redundancy	6.4	6.8
CC(1/2)	0.994	0.712

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	5% (w/v) PEG 20000, 25% (w/v) trimethylpropane, 0.1 M N,N-bis(2-hydroxyethyl)-2-amino ethanesulfonic acid (BES)/triethanolamine pH 7.5, 1% (w/v) non-detergent sulfobetaine (NDSB) 195, 0.5 mM YCl3, 0.5 mM ErCl3, 0.5 mM TbCl3, 0.5 mM YbCl3