9EYF

A-SPECTRIN SH3 DOMAIN V9L, A11V, V23L, M25L, V46Y, V53I 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	2022-07-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	24.629, 32.047, 62.494
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.250 - 1.340
R-factor	0.2158
Rwork	0.214
R-free	0.25150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.992
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]	31.250	1.368
High resolution limit [Å]	1.340	1.340
Rmerge	0.079
Number of reflections	11534	563
<I/σ(I)>	14.7	1
Completeness [%]	100.0	100
Redundancy	12.3
CC(1/2)	0.999	0.584

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	2.2M Ammonium Sulfate and 0.1M TRIS pH: 6.7