5A3B
Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes 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 | 2014-08-03 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 |
| Unit cell lengths | 33.943, 41.521, 51.253 |
| Unit cell angles | 99.76, 93.40, 92.66 |
Refinement procedure
| Resolution | 50.390 - 1.900 |
| R-factor | 0.16586 |
| Rwork | 0.163 |
| R-free | 0.21577 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.446 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | autoSHARP |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.350 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 | 0.330 |
| Number of reflections | 19940 | |
| <I/σ(I)> | 8 | 4.5 |
| Completeness [%] | 92.1 | 88.9 |
| Redundancy | 2.4 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | CRYSTALLIZATION CONDITIONS: 0.1 M AMINO ACIDS, 0.1 M BUFFER SYSTEM 1 (PH 6.5), 30.00% (V/V) EDO_P8K (THESE ARE COMPONENTS OF THE MORPHEUS SCREEN FROM MOLECULAR DIMENSIONS) |
