7PVQ

Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E-G92N-Y93N-N94T-H95E mutant in the space group P21221

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	2019-03-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97910
Spacegroup name	P 21 2 21
Unit cell lengths	27.313, 43.465, 94.854
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.760 - 1.550
R-factor	0.2334
Rwork	0.231
R-free	0.27370
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]	19.760	19.760	1.580
High resolution limit [Å]	1.550	8.490	1.550
Rmerge	0.073	0.057	0.240
Rmeas	0.087	0.067	0.311
Rpim	0.047	0.035	0.196
Total number of observations	41512	353	1278
Number of reflections	15097	99	703
<I/σ(I)>	13.3	20.7	3.9
Completeness [%]	90.1	80.6	89.2
Redundancy	2.7	3.6	1.8
CC(1/2)	0.992	0.995	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	1.8M ammonium sulfate, 0.1M MES