4P7R

Structure of Escherichia coli PgaB C-terminal domain in complex with a poly-beta-1,6-N-acetyl-D-glucosamine (PNAG) hexamer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-10
Detector	RAYONIX MX-300
Wavelength(s)	1.08
Spacegroup name	P 21 21 21
Unit cell lengths	42.232, 77.786, 114.844
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.640 - 1.800
R-factor	0.16
Rwork	0.158
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p7l
RMSD bond length	0.007
RMSD bond angle	1.146
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1615))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.088	0.557
Number of reflections	35680
<I/σ(I)>	48.3	5.9
Completeness [%]	100.0	100
Redundancy	10.2	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	18% PEG3350, 0.1 M Bis-Tris, 25 mM PNAG hexamer