7R3L
PARP14 catalytic domain in complex with OUL40
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 | 2018-10-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.96600 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 81.884, 83.748, 80.028 |
Unit cell angles | 90.00, 115.74, 90.00 |
Refinement procedure
Resolution | 53.100 - 2.000 |
R-factor | 0.2041 |
Rwork | 0.203 |
R-free | 0.23720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3goy |
RMSD bond length | 0.007 |
RMSD bond angle | 1.418 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.100 | 2.033 |
High resolution limit [Å] | 1.999 | 1.999 |
Number of reflections | 32725 | 1587 |
<I/σ(I)> | 10.3 | |
Completeness [%] | 99.2 | |
Redundancy | 3.1 | |
CC(1/2) | 0.997 | 0.842 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | . 0.17 M ammonium sulphate, 15% (v/v) glycerol, 27% (v/v) PEG 4000 |