4GJE

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-07
Detector	RAYONIX MX300HE
Wavelength(s)	0.97921
Spacegroup name	P 61 2 2
Unit cell lengths	49.627, 49.627, 116.313
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.980 - 1.600
R-factor	0.122
Rwork	0.121
R-free	0.14970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.735
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	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.058	0.037	0.382
Number of reflections	11912
<I/σ(I)>	18
Completeness [%]	99.9	99	100
Redundancy	20.4	18.2	20.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	cadmium sulphate 0.05M, sodium acetate 1.0M, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K