1WRK

Crystal structure of the N-terminal domain of human cardiac troponin C in complex with trifluoperazine (orthrombic crystal form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45PX
Synchrotron site	SPring-8
Beamline	BL45PX
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	2004-03-11
Detector	RIGAKU RAXIS V
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	40.330, 47.900, 98.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.150
R-factor	0.231
Rwork	0.230
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dtl
RMSD bond length	0.011
RMSD bond angle	1.370
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.066	0.357
Number of reflections	10627
<I/σ(I)>	18.7
Completeness [%]	95.9	89.1
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	277	PEG3350, magnesium chloride, calcium chloride, MES, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K