6SDB

Chimeric titin Z1Z2 functionalized with a KLER exogenous peptide from decorin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97600
Spacegroup name	P 64
Unit cell lengths	149.200, 149.200, 149.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.840 - 2.800
Rwork	0.191
R-free	0.23350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a38
RMSD bond length	0.010
RMSD bond angle	1.240
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.840	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.278	2.541
Rmeas	0.280	2.668
Number of reflections	487636	4643
<I/σ(I)>	9.62	1.04
Completeness [%]	93.8	100
Redundancy	10.4	10.7
CC(1/2)	0.992	0.763

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	1 M NH4H2PO4 pH 4.6, 100 mM sodium acetate