4BWR

Crystal structure of c5321: a protective antigen present in uropathogenic Escherichia coli strains displaying an SLR fold

Replaces:  2XM6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791 , 0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	48.940, 58.520, 88.350
Unit cell angles	90.00, 103.82, 90.00

Refinement procedure

Resolution	36.891 - 1.740
R-factor	0.1569
Rwork	0.155
R-free	0.19190
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.884
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.910	1.830
High resolution limit [Å]	1.740	1.740
Rmerge	0.080	0.480
Number of reflections	49642
<I/σ(I)>	12	3.1
Completeness [%]	99.5	99.4
Redundancy	5.2	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		20% PEG3350, 100 MM TRIS-HCL PH 8.5, AND 200 MM MGCL2