8DTQ

Crystal Structure of Staphylococcus aureus pSK41 Cop

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97942
Spacegroup name	P 1 21 1
Unit cell lengths	38.460, 56.261, 46.018
Unit cell angles	90.00, 104.34, 90.00

Refinement procedure

Resolution	44.580 - 1.450
R-factor	0.1903
Rwork	0.188
R-free	0.22270
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.791
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.580	1.504
High resolution limit [Å]	1.450	1.450
Rmerge	0.077
Rmeas	0.108	0.700
Number of reflections	33440	3284
<I/σ(I)>	14.4	1.72
Completeness [%]	99.5	98.44
Redundancy	2	2
CC(1/2)	0.991	0.673

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	298	3M sodium chloride, 0.1M sodium acetate pH 4.5