5II8

Orthorhombic crystal structure of red abalone lysin at 0.99 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	2014-09-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.88560
Spacegroup name	P 21 21 21
Unit cell lengths	45.210, 51.050, 80.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.422 - 0.990
R-factor	0.1669
Rwork	0.164
R-free	0.19110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ii7
RMSD bond length	0.015
RMSD bond angle	1.386
Data reduction software	XDS (20141118)
Data scaling software	XDS (20141118)
Phasing software	PHASER
Refinement software	PHENIX ((dev_2398: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.422	1.010
High resolution limit [Å]	0.990	0.990
Rmerge	0.053	2.006
Number of reflections	101171
<I/σ(I)>	11.6	1.1
Completeness [%]	94.1	87.44
Redundancy	4.89	4.86
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	0.65 M ammonium sulfate, 0.2 M NaCl, 0.1 M CHES