9EYC

A-SPECTRIN SH3 DOMAIN V9L, A11V, V23L, M25C, V46W, V53L and 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	2022-05-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	31.195, 36.912, 65.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.190 - 1.060
R-factor	0.1937
Rwork	0.193
R-free	0.21640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.121
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.20_4459: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.190	1.080
High resolution limit [Å]	1.060	1.060
Rmerge	0.042	1.953
Number of reflections	35102	1751
<I/σ(I)>	25.8	0.6
Completeness [%]	99.9
Redundancy	6.2
CC(1/2)	0.999	0.573

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	1.8M Ammonium Sulfate, 0.05 NaI and 0.1M TRIS pH: 6.5