5DY4
Crystal structure of human Sirt2 in complex with a brominated 2nd generation SirReal inhibitor and NAD+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-10-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 84.303, 55.432, 96.176 |
Unit cell angles | 90.00, 114.91, 90.00 |
Refinement procedure
Resolution | 46.780 - 1.770 |
R-factor | 0.17686 |
Rwork | 0.175 |
R-free | 0.21286 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rmg |
RMSD bond length | 0.013 |
RMSD bond angle | 1.646 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.780 | 1.810 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.095 | 2.050 |
Number of reflections | 38622 | |
<I/σ(I)> | 10.3 | 1 |
Completeness [%] | 98.2 | 98.1 |
Redundancy | 6.7 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 278 | 27 % PEG 3350 |