5YQN
Crystal structure of Sirt2 in complex with selective inhibitor L55
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.864, 73.510, 55.573 |
Unit cell angles | 90.00, 95.18, 90.00 |
Refinement procedure
Resolution | 32.126 - 1.600 |
R-factor | 0.175 |
Rwork | 0.173 |
R-free | 0.20380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mat |
RMSD bond length | 0.006 |
RMSD bond angle | 1.086 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 1.600 | |
Rpim | 0.070 | 0.223 |
Number of reflections | 37688 | |
<I/σ(I)> | 10 | |
Completeness [%] | 99.5 | |
Redundancy | 3.4 | |
CC(1/2) | 0.859 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M HEPES PH7.4, 30% PEG 3350 |