9FDS
Crystal structure of human Sirt2 in complex with SirReal2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-09 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.87313 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.753, 73.555, 55.473 |
| Unit cell angles | 90.00, 94.70, 90.00 |
Refinement procedure
| Resolution | 55.290 - 1.400 |
| R-factor | 0.1754 |
| Rwork | 0.174 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.819 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.550 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.053 | 1.003 |
| Rmeas | 0.060 | 1.129 |
| Rpim | 0.028 | 0.510 |
| Total number of observations | 219522 | 13405 |
| Number of reflections | 49786 | 2882 |
| <I/σ(I)> | 12.9 | 1.6 |
| Completeness [%] | 88.4 | |
| Redundancy | 4.4 | 4.7 |
| CC(1/2) | 0.999 | 0.602 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 27 % (w/v) PEG 3,350, 0.1 M HEPES pH 7.75; Inhibitor has been soaked in same condition with addition of 10 % (v/v) DMSO for 24h. |
