5MR3

Crystal structure of red abalone egg VERL repeat 2 with linker in complex with sperm lysin at 1.8 A resolution

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	2016-09-02
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.07227
Spacegroup name	P 1 21 1
Unit cell lengths	75.870, 87.860, 92.550
Unit cell angles	90.00, 100.93, 90.00

Refinement procedure

Resolution	45.322 - 1.800
R-factor	0.2021
Rwork	0.201
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 5II8 5ii9 D_1200000737
RMSD bond length	0.005
RMSD bond angle	0.793
Data reduction software	XDS (May 1, 2016 BUILT=20160617)
Data scaling software	XDS (May 1, 2016 BUILT=20160617)
Phasing software	PHASER (2.7.12)
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.322	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.054	1.494
Number of reflections	109995
<I/σ(I)>	11.53	0.97
Completeness [%]	99.5	99.6
Redundancy	3.4	3.4
CC(1/2)	0.998	0.307

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	5% (w/v) PEG 8000, 20% (v/v) PEG 300, 10% (v/v) Glycerol, 0.1 M Tris pH 8.5