3VVB

Crystal Structure of Capsular Polysaccharide Synthesizing Enzyme CapE from Staphylococcus aureus in apo form

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	2009-10-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 63 2 2
Unit cell lengths	125.180, 125.180, 101.790
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.050 - 2.800
R-factor	0.23777
Rwork	0.236
R-free	0.27560
Starting model (for MR)	4g5h
RMSD bond length	0.008
RMSD bond angle	1.363
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	108.409	34.054	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge		0.047	0.801
Rmeas		0.050	0.855
Rpim		0.018	0.296
Total number of observations		3028	14253
Number of reflections	12014
<I/σ(I)>	12.6	32.8	2.9
Completeness [%]	99.7	96.1	100
Redundancy	8	7	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Sodium succinate, Potassium formate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K