6KE5
Structure of CavAb in complex with Diltiazem and Amlodipine
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 | 2016-02-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 124.730, 124.990, 191.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.706 - 2.803 |
| R-factor | 0.2522 |
| Rwork | 0.249 |
| R-free | 0.29210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.705 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.706 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.095 | 0.487 |
| Number of reflections | 66929 | 9478 |
| <I/σ(I)> | 10.3 | 2.4 |
| Completeness [%] | 90.8 | 89.3 |
| Redundancy | 4.7 | 4 |
| CC(1/2) | 0.994 | 0.861 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1M Na-citrate,pH5.0,2M Ammonium Sulfate |
