8DMU
Crystal structure of macrodomain CG3568 from Drosophila melanogaster in complex with ADP-ribose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 104.048, 129.805, 199.433 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 92.250 - 2.000 |
R-factor | 0.2338 |
Rwork | 0.232 |
R-free | 0.27310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold AT21585p |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 92.250 | 2.071 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 182007 | 17977 |
<I/σ(I)> | 9.41 | |
Completeness [%] | 99.8 | |
Redundancy | 5.6 | |
CC(1/2) | 0.998 | 0.744 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Tris-HCl, pH 8.5, 1 M lithium sulfate, 0.01 M nickel (II) chloride |