7OSP
PARP15 catalytic domain in complex with OUL113
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 | 2017-09-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.966 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.310, 68.550, 159.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.630 - 1.440 |
R-factor | 0.1626 |
Rwork | 0.161 |
R-free | 0.19280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3blj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.607 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.480 |
High resolution limit [Å] | 1.440 | 1.440 |
Number of reflections | 88158 | 6625 |
<I/σ(I)> | 13.05 | |
Completeness [%] | 96.9 | 100 |
Redundancy | 5.6 | 5.7 |
CC(1/2) | 0.999 | 0.618 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 0.2 M ammonium chloride pH 7.5, 16% (w/v) PEG 3350 |