7PWQ
PARP15 catalytic domain in complex with OUL240
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 | 2020-11-09 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.96546 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.720, 69.480, 161.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.030 - 1.700 |
R-factor | 0.1869 |
Rwork | 0.185 |
R-free | 0.21770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7oth |
RMSD bond length | 0.008 |
RMSD bond angle | 1.497 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.740 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 57216 | 4189 |
<I/σ(I)> | 5.55 | |
Completeness [%] | 99.3 | |
Redundancy | 3.9 | |
CC(1/2) | 0.962 | 0.796 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M ammonium chloride pH 7.5, 20% PEG 3350 |