7PVV

Crystal structure of the Abl SH3 domain G92N-Y93N-N94T-H95E mutant

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	2019-09-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	I 21 21 21
Unit cell lengths	41.886, 47.403, 75.574
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.900 - 1.820
R-factor	0.2105
Rwork	0.210
R-free	0.22430
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 (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.900	19.900	1.860
High resolution limit [Å]	1.820	8.920	1.820
Rmerge	0.038	0.020	0.437
Rmeas	0.042	0.022	0.502
Rpim	0.019	0.011	0.243
Total number of observations	33491	265	1728
Number of reflections	7019	69	417
<I/σ(I)>	14.8	32.6	2.2
Completeness [%]	99.8	90.5	99.7
Redundancy	4.8	3.8	4.1
CC(1/2)	0.999	0.999	0.888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	283	1.6 M ammonium sulfate, 5% PEG200, 10% Glicerol, 40 mM LiCl, 0.1M Sodium Acetate