3QP3

Crystal structure of titin domain M4, tetragonal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-02
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.93340
Spacegroup name	P 41 21 2
Unit cell lengths	63.494, 63.494, 151.023
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.597 - 1.997
R-factor	0.1789
Rwork	0.177
R-free	0.21270
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.044
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.600	2.100
High resolution limit [Å]	1.997	1.997
Rmerge	0.063	0.393
Number of reflections	21724
<I/σ(I)>	21.5	4.3
Completeness [%]	99.6	98.8
Redundancy		4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	0.2M Na-citrate pH 4.0, 1.2M (NH4)2SO4, 0.3M MgSO4, VAPOR DIFFUSION, HANGING DROP, temperature 293K