5EYZ

CRYSTAL STRUCTURE OF THE PTPN4 PDZ DOMAIN COMPLEXED WITH THE TAILORED PEPTIDE CYTO8-RETEV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	291
Detector technology	PIXEL
Collection date	2011-10-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.28268
Spacegroup name	C 2 2 21
Unit cell lengths	77.710, 80.880, 170.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.560 - 2.090
R-factor	0.2297
Rwork	0.229
R-free	0.23950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nfk
RMSD bond length	0.007
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER
Refinement software	BUSTER-TNT (BUSTER 2.11.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.800	2.200
High resolution limit [Å]	2.090	2.090
Rmerge	0.049	0.510
Rmeas	0.056
Rpim	0.025	0.022
Total number of observations	141532	4830
Number of reflections	30269
<I/σ(I)>	14.2	31.2
Completeness [%]	94.2	63
Redundancy	4.7	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	23% PEG 8000, 0.1 M MES PH 6.0, 0.2 M CALCIUM ACETATE, 0.143 MM AMMONIUM SULFATE