7PVS

Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E-G92N-Y93N-N94T-H95E mutant in presence of PEG 200

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979260
Spacegroup name	P 21 2 21
Unit cell lengths	27.125, 43.479, 94.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.750 - 1.050
R-factor	0.1695
Rwork	0.169
R-free	0.18430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eg3
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.19.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.750	19.750	1.070
High resolution limit [Å]	1.050	5.750	1.050
Rmerge	0.044	0.020	0.638
Rmeas	0.049	0.023	0.744
Rpim	0.021	0.011	0.374
Total number of observations	271721	1866	8357
Number of reflections	52808	388	2384
<I/σ(I)>	14.8	51.7	1.9
Completeness [%]	99.3	97.5	92.9
Redundancy	5.1	4.8	3.5
CC(1/2)	1.000	0.999	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	283	2.6 M ammonium sulfate, 5% PEG200, 10% Glicerol, 40mM LiCl, 0.1M MES