1DTL
CRYSTAL STRUCTURE OF CALCIUM-SATURATED (3CA2+) CARDIAC TROPONIN C COMPLEXED WITH THE CALCIUM SENSITIZER BEPRIDIL AT 2.15 A RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 1998-09-20 |
| Detector | CUSTOM-MADE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.270, 62.040, 62.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 500.000 - 2.150 |
| R-factor | 0.216 |
| Rwork | 0.213 |
| R-free | 0.27630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1AVS AND 1TN4 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.450 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
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 | 0.126 |
| Total number of observations | 54641 * | |
| Number of reflections | 7998 | |
| <I/σ(I)> | 34.2 | |
| Completeness [%] | 99.7 | 99.2 |
| Redundancy | 6.83 | 3.12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.2 | 4 * | PEG3350 monodisperse, magnesium chloride, calcium chloride, HEPES, bepridil, HCl, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 1.2 (mM) | |
| 2 | 1 | drop | 6 (mM) | ||
| 3 | 1 | drop | bepridil-HCl | 2.5 (mM) | |
| 4 | 1 | drop | HEPES | 10 (mM) | |
| 5 | 1 | reservoir | PEG3350 | 30 (%) | |
| 6 | 1 | reservoir | 20 (mM) | ||
| 7 | 1 | reservoir | HEPES | 50 (mM) |
