1UT2

AfaE-3 adhesin from Escherichia Coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2003-02-15
Detector	ADSC CCD
Spacegroup name	P 31 2 1
Unit cell lengths	113.295, 113.295, 164.125
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	63.300 - 3.300
R-factor	0.228
Rwork	0.226
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 1USZ
RMSD bond length	0.004
RMSD bond angle	0.590
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.300	3.480
High resolution limit [Å]	3.300	3.300
Rmerge	0.194	0.326
Number of reflections	18872
<I/σ(I)>	3.2	2
Completeness [%]	99.9	99.9
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		0.2 M MAGNESIUM SULPHATE 20% PEG 4000, 0.1M TRIS-HCL PH 7