3VVC

Crystal Structure of Capsular Polysaccharide Synthesizing Enzyme CapE , K126E, in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	H 3 2
Unit cell lengths	160.540, 160.540, 80.050
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.740 - 2.200
R-factor	0.19592
Rwork	0.192
R-free	0.26524
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	2.009
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.270	34.740	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.055	0.541
Number of reflections	20104
<I/σ(I)>	9.3	10.8	1.4
Completeness [%]	99.9	96.3	100
Redundancy	4.7	4.2	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	HEPES-NaOH, PEG 400, ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K