5A3A
Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes (Apo form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-08-07 |
Detector | DECTRIS PILATUS 2M |
Spacegroup name | P 1 |
Unit cell lengths | 34.160, 41.510, 51.230 |
Unit cell angles | 99.87, 94.63, 90.77 |
Refinement procedure
Resolution | 34.810 - 1.540 |
R-factor | 0.15205 |
Rwork | 0.150 |
R-free | 0.19998 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.016 |
RMSD bond angle | 1.421 |
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] | 34.810 | 1.580 |
High resolution limit [Å] | 1.540 | 1.540 |
Rmerge | 0.060 | 0.550 |
Number of reflections | 36095 | |
<I/σ(I)> | 10.6 | 2 |
Completeness [%] | 88.3 | 82.8 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 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) |