6JUH
structure of CavAb in complex with efonidipine
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 | 2015-04-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 124.860, 125.520, 191.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.818 - 3.000 |
| R-factor | 0.2377 |
| Rwork | 0.235 |
| R-free | 0.29070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ms2 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.435 |
| Data reduction software | iMOSFLM |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (dev_1839) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 53912 | 8310 |
| <I/σ(I)> | 9.6 | |
| Completeness [%] | 89.0 | |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 1.0-2.0M Ammonium Sulfate 100 mM Na-citrate pH=5.0 |
