1J1D

Crystal structure of the 46kDa domain of human cardiac troponin in the Ca2+ saturated form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	90
Detector technology	CCD
Collection date	2001-12-09
Detector	MAR CCD 165 mm
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	42.346, 167.860, 69.707
Unit cell angles	90.00, 101.35, 90.00

Refinement procedure

Resolution	40.000 - 2.610
Rwork	0.264
R-free	0.29800
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	18.750 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000 *	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.042	0.223
Total number of observations	103050 *
Number of reflections	27912
<I/σ(I)>	14.9
Completeness [%]	96.7	84.6
Redundancy	3.72

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	PEG3350, lithium chloride, Tris-HCl, calcium chloride, glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG3350	20 (%)
2	1	reservoir	glycerol	15 (%)
3	1	reservoir		0.1 (M)
4	1	reservoir	Tris-HCl	50 (mM)
5	1	reservoir		5 (mM)	or SrCl2, pH8.
6	1	drop	protein	10 (mg/ml)