7F41
PARP15 catalytic domain in complex with 3-AMINOBENZAMIDE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-03-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.313, 68.498, 158.404 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.340 - 1.397 |
R-factor | 0.196927035747 |
Rwork | 0.196 |
R-free | 0.21767 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3blj |
RMSD bond length | 0.006 |
RMSD bond angle | 0.863 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.340 | 1.430 |
High resolution limit [Å] | 1.397 | 1.400 |
Number of reflections | 874703 | 84652 |
<I/σ(I)> | 34.6 | |
Completeness [%] | 85.8 | |
Redundancy | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 100mM HEPES buffer,pH6.5, 22%PEG 3350, 20% glycerol |