7R5D
PARP15 catalytic domain in complex with OUL234
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 EIGER X 16M |
Wavelength(s) | 0.96546 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.370, 68.800, 160.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.710 - 2.150 |
R-factor | 0.2049 |
Rwork | 0.203 |
R-free | 0.24910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3blj |
RMSD bond length | 0.007 |
RMSD bond angle | 1.496 |
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 | 2.210 |
High resolution limit [Å] | 2.150 | 2.150 |
Number of reflections | 27222 | 1843 |
<I/σ(I)> | 14.5 | |
Completeness [%] | 96.4 | |
Redundancy | 3.7 | |
CC(1/2) | 0.997 | 0.935 |
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 |