3B43

I-band fragment I65-I70 from titin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2004-11-03
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9792
Spacegroup name	P 65 2 2
Unit cell lengths	141.430, 141.430, 166.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	16.985 - 3.300
R-factor	0.222
Rwork	0.220
R-free	0.26700
Structure solution method	MIRAS
RMSD bond length	0.006
RMSD bond angle	0.944
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	17.000		3.350
High resolution limit [Å]	3.300	16.000	3.300
Rmerge	0.080	0.019	0.478
Number of reflections	14953	25	639
<I/σ(I)>	19.6	54	4.3
Completeness [%]	98.6	13.8	97.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.9	298	pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K