8BVO

Titin I110-I111 FnIII tandem from the MIR region (I/A5-I/A6)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	80
Detector technology	PIXEL
Collection date	2015-03-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	34.287, 46.259, 71.345
Unit cell angles	90.00, 100.73, 90.00

Refinement procedure

Resolution	38.610 - 2.550
R-factor	0.2283
Rwork	0.224
R-free	0.28720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.016
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.610	2.600
High resolution limit [Å]	2.550	2.550
Rmeas	0.192	0.183
Number of reflections	7239	401
<I/σ(I)>	6.04
Completeness [%]	98.9
Redundancy	3.2
CC(1/2)	0.982	0.424

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	24% (w/v) PEG 1500, 20% (w/v) glycerol