8ADJ
Poly(ADP-ribose) glycohydrolase (PARG) from Drosophila melanogaster in complex with PARG inhibitor PDD00017272
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97958 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.392, 115.919, 123.267 |
| Unit cell angles | 90.00, 112.20, 90.00 |
Refinement procedure
| Resolution | 59.015 - 2.508 |
| Rwork | 0.183 |
| R-free | 0.22310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hmk |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.681 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.020 | 2.580 |
| High resolution limit [Å] | 2.508 | 2.510 |
| Rmerge | 0.122 | 1.829 |
| Rmeas | 0.132 | 1.983 |
| Rpim | 0.051 | 0.760 |
| Number of reflections | 83253 | 6176 |
| <I/σ(I)> | 9.6 | 1.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.7 | 6.7 |
| CC(1/2) | 0.996 | 0.511 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 277.15 | 19% (v/v) PEG3350, 210 mM Na2SO4, 100 mM BisTris propane pH 7.2 |
