9IH7

A-SPECTRIN SH3 DOMAIN V9L, A11V, V23I, M25V, V46F, 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	2022-02-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	28.707, 42.584, 47.957
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.840 - 1.120
R-factor	0.2055
Rwork	0.205
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.944
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]	31.842	1.137
High resolution limit [Å]	1.117	1.117
Number of reflections	23375	1124
<I/σ(I)>	10.8	3.2
Completeness [%]	99.8
Redundancy	11.7
CC(1/2)	0.989	0.666

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	2M Ammonium Sulfate and 0.1M Bis-Tris