6HCI

Crystal structure of titin M3 domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99188
Spacegroup name	P 32 2 1
Unit cell lengths	106.061, 106.061, 75.481
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.234 - 2.120
R-factor	0.1943
Rwork	0.192
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Telokin
RMSD bond length	0.004
RMSD bond angle	0.691
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.234	2.196
High resolution limit [Å]	2.120	2.120
Rmerge	0.119	0.888
Number of reflections	27434	2320
<I/σ(I)>	10	1.3
Completeness [%]	97.5	83.72
Redundancy	4.9	3.5
CC(1/2)	0.996	0.529

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.2 M ammonium sulfate 23% w/v polyethylene glycol 4000