5JDE

Crystal structure of I9-I11 tandem from titin (P1)

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	2013-06-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	37.725, 42.397, 83.529
Unit cell angles	85.18, 79.76, 87.05

Refinement procedure

Resolution	19.420 - 1.900
R-factor	0.1729
Rwork	0.171
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qeg
RMSD bond length	0.008
RMSD bond angle	1.079
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.420
High resolution limit [Å]	1.900	1.900
Number of reflections	38254
<I/σ(I)>	11.3
Completeness [%]	96.6
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.1 M Tris HCl pH 8.5, 30% [w/v] PEG 4000, 0.2 M MgCl2