7R3O
PARP15 catalytic domain in complex with OUL40
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97950 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.240, 68.540, 158.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.500 - 2.200 |
R-factor | 0.2053 |
Rwork | 0.203 |
R-free | 0.24180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3blj |
RMSD bond length | 0.008 |
RMSD bond angle | 1.515 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.260 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 25834 | 1893 |
<I/σ(I)> | 7.8 | |
Completeness [%] | 99.9 | |
Redundancy | 6.6 | |
CC(1/2) | 0.994 | 0.791 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 M ammonium chloride pH 7.5, 16 - 20% (w/v) PEG 3350 |