6KEB
Structure basis for Diltiazem block of a voltage-gated calcium channel
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-08-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 125.600, 125.630, 191.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.850 - 3.200 |
| R-factor | 0.2452 |
| Rwork | 0.243 |
| R-free | 0.27730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.721 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.370 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.137 | 0.592 |
| Number of reflections | 45703 | 6686 |
| <I/σ(I)> | 9.8 | 2.5 |
| Completeness [%] | 90.5 | 91.7 |
| Redundancy | 5.2 | 5.2 |
| CC(1/2) | 0.994 | 0.813 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | CHAPSO:DMPC BICELLES,0.1M Na-citrate,pH5.0,2M Ammonium Sulfate |
