7Z0J

human PEX13 SH3 domain in complex with internal FxxxF motif

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-24
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000029
Spacegroup name	P 31 2 1
Unit cell lengths	86.808, 86.808, 65.436
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.410 - 2.300
R-factor	0.1875
Rwork	0.185
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7z0i
RMSD bond length	0.008
RMSD bond angle	1.525
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.410	49.410	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.200	0.049
Rmeas	0.296
Rpim	0.091	0.011	0.558
Number of reflections	12998	262	1250
<I/σ(I)>	11.8
Completeness [%]	100.0	100	100
Redundancy	20
CC(1/2)	0.997	0.999	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M Sodium chloride 0.1 M Bis-Tris pH 6.5 25% (w/v) PEG 3350