4Z3I

Crystal structure of the lectin domain of PapG from E. coli BI47 in spacegroup P21212

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 2
Unit cell lengths	54.992, 83.981, 45.356
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.006 - 1.739
R-factor	0.1598
Rwork	0.158
R-free	0.19530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	18JS
RMSD bond length	0.011
RMSD bond angle	1.293
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_1938)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.006	1.800
High resolution limit [Å]	1.739	1.739
Rmerge	0.090	1.010
Number of reflections	21919
<I/σ(I)>	20.5	2.6
Completeness [%]	98.1	84.2
Redundancy	12.6	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10 % PEG10000