6DM4

Crystal structure of the SH2 domain from RavO (Lpg1129) from Legionella pneumophila in complex with Homo sapiens Shc1 phospho-Tyr317 peptide

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	2015-02-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97932
Spacegroup name	P 1
Unit cell lengths	44.454, 45.035, 74.748
Unit cell angles	72.60, 90.14, 77.55

Refinement procedure

Resolution	14.815 - 1.900
R-factor	0.1847
Rwork	0.182
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.616
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_3092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.050	0.572
Rmeas	0.062	0.696
Rpim	0.036	0.392
Number of reflections	41529	2095
<I/σ(I)>	33.19	3.22
Completeness [%]	96.9	96.6
Redundancy	3.1	3.1
CC(1/2)		0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.2 mM pTyr317 Shc1 peptide, 0.2 M ammonium sulfate, 0.1 M Tris pH 8.5, 25% (w/v) PEG 5K MME