5IHI

Crystal Structure of the alpha spectrin SH3 domain double mutant V46G-D48G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-03-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	33.219, 42.315, 49.391
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.819 - 1.450
R-factor	0.169
Rwork	0.168
R-free	0.19280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m0r
RMSD bond length	0.014
RMSD bond angle	1.233
Data reduction software	XDS
Data scaling software	Aimless (0.5.1)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.820	19.820	1.470
High resolution limit [Å]	1.450	7.940	1.450
Rmerge	0.029	0.016	0.556
Rmeas	0.035
Rpim	0.019
Total number of observations	39913
Number of reflections	12697
<I/σ(I)>	17.5
Completeness [%]	99.0	90.5	99
Redundancy	3.1	2.9	3.2
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	0.1M Sodium Acetate, 1 M Ammonium sulphate