4GJF

Crystal structure of the amino-terminal domain of human cardiac troponin C mutant L29Q in complex with cadmium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97949
Spacegroup name	P 61 2 2
Unit cell lengths	49.250, 49.250, 113.378
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.650 - 1.900
R-factor	0.1433
Rwork	0.142
R-free	0.17770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.640
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.062	0.044	0.327
Number of reflections	6990
<I/σ(I)>	16.6
Completeness [%]	99.7	97.7	99.8
Redundancy	9.5	8.2	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	cadmium sulphate octahydrate 0.02M, sodium acetate 0.6M, 0.1M Tris-HCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K