7TZK

EPS8 SH3 Domain with NleH1 PxxDY Motif

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-08-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.18064
Spacegroup name	P 1 21 1
Unit cell lengths	34.681, 35.280, 53.647
Unit cell angles	90.00, 105.57, 90.00

Refinement procedure

Resolution	32.280 - 1.430
R-factor	0.1984
Rwork	0.195
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i0c
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.280	35.280	1.450
High resolution limit [Å]	1.430	7.830	1.430
Rmerge	0.056	0.030	1.042
Rmeas	0.067	0.036	1.250
Rpim	0.037	0.020	0.681
Total number of observations	72959	491	3696
Number of reflections	23092	162	1166
<I/σ(I)>	10.3	25.8	1
Completeness [%]	99.0	98.6	99.5
Redundancy	3.2	3	3.2
CC(1/2)	0.998	0.998	0.346

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	35% PEG 8,000