3SLJ

Pre-cleavage Structure of the Autotransporter EspP - N1023A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-18
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	31.142, 122.027, 123.641
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.426 - 2.481
R-factor	0.2008
Rwork	0.199
R-free	0.23740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qom
RMSD bond length	0.007
RMSD bond angle	1.063
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.6.1_357)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.570
High resolution limit [Å]	2.480	5.340	2.480
Rmerge	0.087	0.048	0.618
Number of reflections	17443
<I/σ(I)>	9.5
Completeness [%]	99.4	98	100
Redundancy	4.8	4.4	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	294	20% w/v PEG8000, 20% v/v glycerol, pH 7.5, HANGING DROP, temperature 294K