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 |