9IH6

A-SPECTRIN SH3 DOMAIN V9Y, A11V, V23L, M25V, V53L, V58L MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	80
Detector technology	PIXEL
Collection date	2022-03-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	60.607, 83.727, 25.061
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.860 - 1.310
R-factor	0.1945
Rwork	0.193
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.864	1.332
High resolution limit [Å]	1.309	1.309
Rmerge	0.101	2.925
Rpim	0.030	0.848
Number of reflections	15822	794
<I/σ(I)>	13.9
Completeness [%]	100.0
Redundancy	12.5
CC(1/2)	0.998	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	2M Ammonium Sulfate, 1M Na/K Tartrate and 0.1M Sodium Citrate