6RY4
PARP15 catalytic domain in complex with 4-(3-carbamoylphenoxy)benzamide.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2018-07-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.480, 68.970, 161.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.770 - 1.950 |
R-factor | 0.18267 |
Rwork | 0.181 |
R-free | 0.21929 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ek2 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.458 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.120 | |
Rmeas | 0.120 | 0.760 |
Rpim | 0.051 | |
Number of reflections | 26517 | 2756 |
<I/σ(I)> | 10.6 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 6.5 | |
CC(1/2) | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M NH4Cl pH 7.5, 18% PEG 3350 |