6OHS
Structure of compound 3 (ML299) bound human Phospholipase D2 catalytic domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-03 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.060, 132.317, 114.611 |
| Unit cell angles | 90.00, 100.01, 90.00 |
Refinement procedure
| Resolution | 48.174 - 3.200 |
| R-factor | 0.2797 |
| Rwork | 0.278 |
| R-free | 0.31900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ohm |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.740 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.200 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Number of reflections | 43049 | 4306 |
| <I/σ(I)> | 3.2 | |
| Completeness [%] | 99.7 | |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.08M sodium cacodylate pH 7.0, 22% PEG 8000, 0.1M calcium acetate |
