4PHX

Crystal structure of AggB, the minor subunit of aggregative adherence fimbriae type I from the Escherichia coli O4H104

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	130.797, 163.968, 58.627
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.627 - 2.400
R-factor	0.23
Rwork	0.228
R-free	0.27260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2axw
RMSD bond length	0.009
RMSD bond angle	1.352
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	102.250	58.627	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.041	0.565
Rmeas	0.069
Rpim	0.030	0.021	0.262
Total number of observations	261640	8037	39374
Number of reflections	50214
<I/σ(I)>	14.8	30.9	2.8
Completeness [%]	99.9	99.2	99.9
Redundancy	5.2	4.6	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	0.2 M lithium sulfate monohydrate, 0.1 M Tris HCl, pH 8.5, 30% w/v PEG 4000