6HOS

Structure of the KpFlo2 adhesin domain in complex with glycerol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	C 1 2 1
Unit cell lengths	79.943, 103.186, 72.099
Unit cell angles	90.00, 113.51, 90.00

Refinement procedure

Resolution	39.409 - 2.150
R-factor	0.1734
Rwork	0.172
R-free	0.19890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a3l
RMSD bond length	0.004
RMSD bond angle	0.609
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.670	2.270
High resolution limit [Å]	2.150	2.150
Rmerge	0.071	0.561
Number of reflections	29204
<I/σ(I)>	11.7	2.4
Completeness [%]	100.0	100
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	30 mg/ml protein, 20 mM MgCl2, 200 mM sodium cacodylate, 50% (V/v) PEG200