8BW6

Titin FnIII-domain I110 (I/A6) from the MIR region

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	P 41 21 2
Unit cell lengths	45.860, 45.860, 112.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.440 - 1.950
R-factor	0.2194
Rwork	0.217
R-free	0.25390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.975
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]	42.440	2.000
High resolution limit [Å]	1.950	1.950
Number of reflections	9305	651
<I/σ(I)>	23.09	0.93
Completeness [%]	100.0	100
Redundancy	12.36	12.43
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1M Tris pH8 30% PEG 300