5A3C
Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes in complex with NAD
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 | 33.880, 41.480, 51.260 |
| Unit cell angles | 99.55, 93.61, 92.98 |
Refinement procedure
| Resolution | 40.820 - 2.030 |
| R-factor | 0.17843 |
| Rwork | 0.176 |
| R-free | 0.23330 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.181 |
| 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] | 40.820 | 2.080 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.150 | 0.600 |
| Number of reflections | 17229 | |
| <I/σ(I)> | 4.8 | 1.9 |
| Completeness [%] | 97.2 | 95.2 |
| Redundancy | 2.3 | 2.3 |
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) |
