7PVR

Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E-G92N-Y93N-N94T-H95E mutant in the space group P41

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96770
Spacegroup name	P 41
Unit cell lengths	42.424, 42.424, 30.407
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.970 - 1.650
R-factor	0.1757
Rwork	0.174
R-free	0.20870
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]	18.970	18.970	1.680
High resolution limit [Å]	1.650	8.580	1.650
Rmerge	0.045	0.021	0.378
Rmeas	0.047	0.022	0.463
Rpim	0.013	0.010	0.261
Total number of observations	59514
Number of reflections	5425	48	53
<I/σ(I)>	29.7
Completeness [%]	81.4	91.2	14
Redundancy	11	12.6	3
CC(1/2)	1.000	1.000	0.740

Crystallization Conditions

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