6RHV

Crystal structure of mouse CD11b I-domain (CD11b-I) in complex with Staphylococcus aureus octameric bi-component leukocidin LukGH (LukH K319A mutant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-04
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 4 21 2
Unit cell lengths	130.494, 130.494, 109.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.940 - 2.290
R-factor	0.1895
Rwork	0.188
R-free	0.22710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	chains A and C from the PDB entry 5k59
RMSD bond length	0.002
RMSD bond angle	0.490
Data reduction software	XDS (January 26, 2018)
Data scaling software	XSCALE (Jan 26, 2018 BUILT=20180126)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.14rc1_3177)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.942	2.369
High resolution limit [Å]	2.287	2.287
Rmerge	0.187	2.277
Rmeas	0.206	2.566
Rpim	0.086	1.158
Number of reflections	42957	4124
<I/σ(I)>	7.45	0.64
Completeness [%]	99.6	97.63
Redundancy	5.57	4.5
CC(1/2)	0.993	0.212

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	Crystallization drops were prepared by mixing 1.0 uL LukGH/moCD11b-I complex (5 mg/mL) in 25 mM HEPES (pH 7.5), 50 mM NaCl and 1 mM MgCl2 with 1.0 uL reservoir solution containing 25% (v/v) Jeffamine-600 and 10% (v/v) DMSO.