3RV5
Crystal structure of human cardiac troponin C regulatory domain in complex with cadmium and deoxycholic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-30 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.98066 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 51.844, 81.783, 100.469 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.010 - 2.200 |
| R-factor | 0.22826 |
| Rwork | 0.225 |
| R-free | 0.28148 |
| Structure solution method | SAD |
| RMSD bond length | 0.032 |
| RMSD bond angle | 1.887 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.067 | 0.176 |
| Number of reflections | 21706 | |
| <I/σ(I)> | 28.4 | 5.7 |
| Completeness [%] | 98.4 | 99.1 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 100 mM Tris-HCl (pH 8), 50 mM cadmium sulfate, 900 mM sodium acetate (reservoir) and 50 mM deoxycholic acid (additive), VAPOR DIFFUSION, SITTING DROP, temperature 293K |
