3R6N

Crystal structure of a rigid four spectrin repeat fragment of the human desmoplakin plakin domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	157.520, 82.520, 139.980
Unit cell angles	90.00, 125.54, 90.00

Refinement procedure

Resolution	45.653 - 2.950
R-factor	0.2212
Rwork	0.216
R-free	0.26480
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.590
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.19)
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.691	56.980	3.030
High resolution limit [Å]	2.946	13.190	2.950
Rmerge	0.046	0.033	0.365
Total number of observations		910	5748
Number of reflections	30845
<I/σ(I)>	16.3	18.3	2
Completeness [%]	99.5	88.2	96.7
Redundancy	2.9	2.8	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	16% PEG 8000, 0.1M Tris-Cl (pH 8.5), 4mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 293K