3VHR

Crystal Structure of capsular polysaccharide assembling protein CapF from Staphylococcus aureus in space group C2221

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	66.060, 105.010, 131.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.470 - 2.700
R-factor	0.2013
Rwork	0.198
R-free	0.25920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3st7
RMSD bond length	0.008
RMSD bond angle	1.318
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.760	48.760	2.850
High resolution limit [Å]	2.700	8.540	2.700
Rmerge	0.099	0.043	0.467
Number of reflections	12933
<I/σ(I)>	13.4	27.2	4
Completeness [%]	100.0	99.3	100
Redundancy	6.9	6.4	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	17.5% PEG 3350, Sodium Malonate 0.2M, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K