4P1X

Crystal structure of staphylococcal LUK prepore

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-08
Detector	RAYONIX MX225HE
Wavelength(s)	1.28253
Spacegroup name	C 1 2 1
Unit cell lengths	193.310, 193.160, 116.380
Unit cell angles	90.00, 118.94, 90.00

Refinement procedure

Resolution	48.295 - 2.400
R-factor	0.1826
Rwork	0.182
R-free	0.22290
RMSD bond length	0.014
RMSD bond angle	1.363
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.300	2.486
High resolution limit [Å]	2.400	2.400
Rmerge	0.131	0.545
Number of reflections	144820
<I/σ(I)>	7.14	2.48
Completeness [%]	99.6	97.89
Redundancy	3.8	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	293	40% MPD, 0.1M sodium acetate (pH 4.8), 0.15 M di-sodium hydrogen phosphate