5IIA

Crystal structure of red abalone egg VERL repeat 3 in complex with sperm lysin at 1.7 A resolution (crystal form I)

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	2015-02-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97239
Spacegroup name	P 1
Unit cell lengths	60.490, 60.330, 89.170
Unit cell angles	105.04, 89.02, 113.28

Refinement procedure

Resolution	48.655 - 1.700
R-factor	0.1783
Rwork	0.177
R-free	0.20350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2lis
RMSD bond length	0.008
RMSD bond angle	1.128
Data reduction software	XDS (20141118)
Data scaling software	XDS (20141118)
Phasing software	PHASER
Refinement software	PHENIX ((dev_2689: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.655	1.761
High resolution limit [Å]	1.700	1.700
Rmerge	0.049	1.765
Number of reflections	122478
<I/σ(I)>	9.63	0.79
Completeness [%]	97.0	96
Redundancy	3.5	3.6
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	20% PEG 3350, 0.2 M di-ammonium citrate