6OA6

CRYSTAL STRUCTURE OF THE ACTIN-BINDING DOMAIN OF HUMAN ALPHA-ACTININ-4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0719
Spacegroup name	P 21 21 21
Unit cell lengths	45.589, 61.732, 89.534
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.700 - 1.370
R-factor	0.13615
Rwork	0.134
R-free	0.17230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2r0o
RMSD bond length	0.009
RMSD bond angle	1.534
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.830	1.390
High resolution limit [Å]	1.370	1.370
Rmerge	0.114	0.691
Rpim	0.048	0.048
Number of reflections	52645	2441
<I/σ(I)>	17.8	1.44
Completeness [%]	97.7	91.9
Redundancy	5.9	3.1
CC(1/2)	0.990	0.667

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	295	50mM Sodium Chloride, 5% Glycerol, 1mM EDTA, 15 - 18% PEG5000-MME