6SIG

Epidermicin antimicrobial protein from Staphylococcus epidermidis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.92
Spacegroup name	C 2 2 2
Unit cell lengths	90.740, 99.440, 69.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.770 - 1.580
R-factor	0.1575
Rwork	0.157
R-free	0.17470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sif
RMSD bond length	0.012
RMSD bond angle	1.693
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.780	1.620
High resolution limit [Å]	1.580	1.580
Rmerge	0.054	0.649
Rmeas	0.065	0.781
Rpim	0.025	0.308
Number of reflections	42997	3140
<I/σ(I)>	18.3
Completeness [%]	99.9
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Ammonium Sulphate, 0.1M Sodium Acetate pH4.5, 28% PEG 2000 MME