3ST7

Crystal Structure of capsular polysaccharide assembling protein CapF from staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-22
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	P 32 2 1
Unit cell lengths	119.530, 119.530, 129.450
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	103.520 - 2.450
R-factor	0.1926
Rwork	0.192
R-free	0.21410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zkl
RMSD bond length	0.012
RMSD bond angle	1.465
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	103.520	40.423	2.580
High resolution limit [Å]	2.450	7.750	2.450
Rmerge	0.070	0.034	0.858
Rmeas		0.037	0.910
Rpim		0.014	0.302
Total number of observations		8992	51677
Number of reflections	39695
<I/σ(I)>	20	52.9	2.8
Completeness [%]	99.8	94.1	100
Redundancy	8.9	7	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	293	300mM NaCl, 100mM ammonium sulfate, 100mM MES, 3.9M sodium formate, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K