7OQQ
PARP15 catalytic domain in complex with TIQ-A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.280, 68.540, 159.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.090 - 2.000 |
R-factor | 0.2169 |
Rwork | 0.215 |
R-free | 0.25590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3blj |
RMSD bond length | 0.009 |
RMSD bond angle | 1.619 |
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 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.095 | 0.589 |
Number of reflections | 33180 | 2413 |
<I/σ(I)> | 9.05 | |
Completeness [%] | 96.1 | |
Redundancy | 3.6 | |
CC(1/2) | 0.995 | 0.746 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M ammonium chloride pH 7.5, 20% (w/v) PEG 3350 |