7Z0K

human PEX13 SH3 in complex with PEX5 W4 (WxxxF/Y) motif

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-08
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.000029
Spacegroup name	P 31 2 1
Unit cell lengths	87.662, 87.662, 66.112
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.910 - 2.300
R-factor	0.1939
Rwork	0.193
R-free	0.21680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7z0j
RMSD bond length	0.010
RMSD bond angle	1.720
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.910	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	13362	1275
<I/σ(I)>	17
Completeness [%]	100.0
Redundancy	20
CC(1/2)	0.992	0.588

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M Sodium sulfate 0.1 M Bis Tris propane pH 6.5 20% (w/v) PEG 3350