1WRL
Crystal structure of the N-terminal domain of human cardiac troponin C in complex with trifluoperazine (monoclinic 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 | 2004-02-07 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.930, 67.460, 90.280 |
Unit cell angles | 90.00, 96.75, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.600 |
R-factor | 0.242 |
Rwork | 0.240 |
R-free | 0.27300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond angle | 17.500 |
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 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.079 | 0.324 |
Number of reflections | 17906 | |
<I/σ(I)> | 11.6 | |
Completeness [%] | 99.8 | 99.2 |
Redundancy | 3.8 |
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 |