5IHN

Crystal Structure of the alpha spectrin SH3 domain mutant N47G

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 PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	32.998, 41.863, 49.783
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.870 - 1.500
R-factor	0.1606
Rwork	0.160
R-free	0.17810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m0r
RMSD bond length	0.002
RMSD bond angle	0.428
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]	19.870	19.870	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.038	0.029	0.454
Number of reflections	11361
<I/σ(I)>	15.1
Completeness [%]	98.9	89.8	100
Redundancy	3.1	2.6	3.2
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	2M Sodium Formate, 0.1 M MES