4IYT

Structure Of The Y184A Mutant Of The PANTON-VALENTINE LEUCOCIDIN S Component From STAPHYLOCOCCUS AUREUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98012
Spacegroup name	P 41 21 2
Unit cell lengths	104.870, 104.870, 106.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.600 - 2.200
R-factor	0.21
Rwork	0.210
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t5r
RMSD bond length	0.010
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.600	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.070	0.915
Number of reflections	30803
<I/σ(I)>	16.2	2.7
Completeness [%]	99.8	99.7
Redundancy	7.2	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	285	40% PEG200, 0.1M NaMES, pH 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 285K