1N5Z

Complex structure of Pex13p SH3 domain with a peptide of Pex14p

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	200
Detector technology	IMAGE PLATE
Collection date	2001-12-10
Detector	MARRESEARCH
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	50.350, 63.204, 66.935
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.700
R-factor	0.24568
Rwork	0.244
R-free	0.30800 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007 *
RMSD bond angle	1.310 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BEAST
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.700	2.700
Rmerge	0.065 *	0.330 *
Number of reflections	5907
<I/σ(I)>	21.1	2.9
Completeness [%]	93.8	97.4
Redundancy	4.3	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.3	22 *	Ammonium sulfate, lithium sulfate, tris, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Pex13p(SH3)	1.25 (mM)
2	1	drop	peptide	5 (mM)
3	1	reservoir	ammonium sulfate	2.0 (M)
4	1	reservoir	Tris	100 (mM)	pH7.3
5	1	reservoir	lithium sulfate	200 (mM)