6FWX

Chimeric titin Z1Z2-Z1Z2 tandem (Z1212) functionalized with a GRGDS exogenous peptide from fibronectin

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	2015-08-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97400
Spacegroup name	H 3
Unit cell lengths	134.400, 134.400, 134.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.798 - 3.000
R-factor	0.2008
Rwork	0.200
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a38
RMSD bond length	0.002
RMSD bond angle	0.461
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.800	3.108
High resolution limit [Å]	3.000	3.000
Rmerge		1.803
Rmeas		2.079
Number of reflections	17993	1813
<I/σ(I)>	9.26	0.6
Completeness [%]	99.0
Redundancy	4.1
CC(1/2)		0.162

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10% [v/v] isopropanol, 100 mM Na2HPO4 pH 4.2, 200 mM LiSO4