3BZO

Crystal structural of native EscU C-terminal domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-30
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97945
Spacegroup name	I 2 2 2
Unit cell lengths	55.692, 58.708, 72.605
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.640 - 1.500
R-factor	0.203
Rwork	0.202
R-free	0.22500
RMSD bond length	0.011
RMSD bond angle	1.289
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.047	0.032	0.538
Number of reflections	19133
<I/σ(I)>	16.8
Completeness [%]	97.8	98.2	95.7
Redundancy	11.8	11.4	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	K2SO4, PEG 3350, pH 8.0, vapor diffusion, temperature 293K