7R3L
PARP14 catalytic domain in complex with OUL40
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96600 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 81.884, 83.748, 80.028 |
| Unit cell angles | 90.00, 115.74, 90.00 |
Refinement procedure
| Resolution | 53.100 - 2.000 |
| R-factor | 0.2041 |
| Rwork | 0.203 |
| R-free | 0.23720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3goy |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.418 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.100 | 2.033 |
| High resolution limit [Å] | 1.999 | 1.999 |
| Number of reflections | 32725 | 1587 |
| <I/σ(I)> | 10.3 | |
| Completeness [%] | 99.2 | |
| Redundancy | 3.1 | |
| CC(1/2) | 0.997 | 0.842 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | . 0.17 M ammonium sulphate, 15% (v/v) glycerol, 27% (v/v) PEG 4000 |
