7P8T

Crystal Structure of leukotoxin LukE from Staphylococcus aureus at 1.5 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-17
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	62.581, 72.199, 78.807
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.010 - 1.459
R-factor	0.1789
Rwork	0.178
R-free	0.19410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3roh
RMSD bond length	0.009
RMSD bond angle	1.110
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.010	1.480
High resolution limit [Å]	1.460	1.460
Number of reflections	62803	3109
<I/σ(I)>	17.2
Completeness [%]	99.9
Redundancy	13.1
CC(1/2)	1.000	0.508

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Imidazole.HCl pH 8.0, 30% (w/v) MPD, 10% (w/v) PEG 4000