2ILL

Anomalous substructure of Titin-A168169

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X12
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X12
Temperature [K]	100
Detector technology	CCD
Detector	MAR CCD 165 mm
Wavelength(s)	2.0
Spacegroup name	I 2 2 2
Unit cell lengths	69.260, 89.120, 103.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.21237
Rwork	0.212
R-free	0.24266
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.028
RMSD bond angle	2.224
Data reduction software	HKL-2000
Data scaling software	CCP4 ((SCALA))
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.057	0.450
Number of reflections	16486
<I/σ(I)>	34.1	4.3
Completeness [%]	99.0	92
Redundancy	11.8	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1