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 |
