3SZE

Crystal structure of the passenger domain of the E. coli autotransporter EspP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.90020
Spacegroup name	P 43 21 2
Unit cell lengths	88.340, 88.340, 311.533
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.19056
Rwork	0.188
R-free	0.23134
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.114
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.130	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.109	0.486
Number of reflections	43730
<I/σ(I)>	13.99	3.86
Completeness [%]	99.9	99.8
Redundancy	6.9	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	18 22% PEG 4000, 0.1M HEPES, 0.05 0.15M tri-lithium citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K