7Z0I

human PEX13 SH3 domain

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	2020-02-08
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.999995
Spacegroup name	I 41
Unit cell lengths	43.949, 43.949, 86.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.238 - 1.800
Rwork	0.182
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wxu
RMSD bond length	0.009
RMSD bond angle	1.498
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]	43.390	43.390	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.082	0.031	1.443
Rmeas	0.089	0.033	1.559
Rpim	0.034	0.013	0.588
Number of reflections	7660	64	462
<I/σ(I)>	19.7
Completeness [%]	99.9	99.1	99.5
Redundancy	13.6	13	13.4
CC(1/2)	1.000	1.000	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.01M Zinc chloride, 0.1M Sodium acetate, 20% w/v PEG 6000