5IHK

Crystal Structure of the alpha spectrin SH3 domain mutant N47A

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	2015-10-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	33.550, 42.371, 49.544
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.928 - 1.350
R-factor	0.1604
Rwork	0.159
R-free	0.19150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m0r
RMSD bond length	0.007
RMSD bond angle	0.984
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]	19.930	19.930	1.370
High resolution limit [Å]	1.350	7.390	1.350
Rmerge	0.032	0.019	0.827
Number of reflections	15744
<I/σ(I)>	32.1
Completeness [%]	97.9	95.5	97.4
Redundancy	12.1	9.5	10.6
CC(1/2)	1.000

Crystallization Conditions

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