8BNQ

Crystal structure of the FnIII-tandem A84-A86 from the A-band of titin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	293.15
Detector technology	PIXEL
Collection date	2015-03-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97250
Spacegroup name	P 1
Unit cell lengths	31.270, 75.000, 79.840
Unit cell angles	114.57, 92.50, 100.91

Refinement procedure

Resolution	29.500 - 2.300
R-factor	0.1997
Rwork	0.198
R-free	0.25780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nzi
RMSD bond length	0.009
RMSD bond angle	1.103
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.500	2.350
High resolution limit [Å]	2.300	2.300
Rmeas	0.121
Number of reflections	27975	2819
<I/σ(I)>	9.27	1.02
Completeness [%]	98.0	97.1
Redundancy	3.6	3.6
CC(1/2)	0.996	0.492

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	5% [v/v] polyethylene glycol 400 and 40% [v/v] 2-methyl-2,4-pentanediol (MPD)