3PCS

Structure of EspG-PAK2 autoinhibitory Ialpha3 helix complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-16
Detector	SBC-3
Wavelength(s)	0.97899
Spacegroup name	P 21 21 21
Unit cell lengths	86.717, 104.603, 191.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.500 - 2.860
R-factor	0.195
Rwork	0.191
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pcr
RMSD bond length	0.008
RMSD bond angle	1.216
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.076	0.032	0.681
Number of reflections	44259
<I/σ(I)>	9.6
Completeness [%]	99.8	98.3	99.5
Redundancy	4.8	4.4	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	22% PEG 4000, 0.25 M NaCl, 0.1 M Tris pH 8.0, 15% ethylene glycol, vapor diffusion, hanging drop, temperature 293K