5JDD

Crystal structure of I9-I11 tandem from titin (P212121)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	42.340, 65.800, 108.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.830 - 1.530
R-factor	0.1625
Rwork	0.162
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.094
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.830	1.610
High resolution limit [Å]	1.530	1.530
Number of reflections	45488
<I/σ(I)>	12.6
Completeness [%]	97.5
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.1 M Bis-Tris Propane pH 8.5, 20% [w/v] PEG 3350, 0.2 M sodium acetate