8RSM
Crystal structure of Streptococcus pyogenes macrodomain in complex with ADP-ribose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.2822 |
| Spacegroup name | P 41 |
| Unit cell lengths | 41.704, 41.704, 137.895 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.704 - 1.870 |
| Rwork | 0.153 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.644 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.950 | 1.910 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Number of reflections | 19406 | 1211 |
| <I/σ(I)> | 12.6 | 2.7 |
| Completeness [%] | 99.8 | 97.2 |
| Redundancy | 6.6 | 4.8 |
| CC(1/2) | 0.998 | 0.536 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 100 mM sodium cocadylate [pH 6.5], 27% (w/v) PEG2000MME |
