6OHP
Structure of compound 1 (halopemide) bound human Phospholipase D2 catalytic domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-05 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.186, 132.509, 114.638 |
| Unit cell angles | 90.00, 100.34, 90.00 |
Refinement procedure
| Resolution | 48.293 - 2.600 |
| R-factor | 0.2415 |
| Rwork | 0.240 |
| R-free | 0.27580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ohm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.680 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.700 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 80186 | 7999 |
| <I/σ(I)> | 6.3 | |
| Completeness [%] | 99.7 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2M ammonium tartrate di-basic, 22% PEG 3350 |
