6FLG
Crystal structure of zebrafish Sirtuin 5 in complex with 3(S)-(naphthylthio)succinyl-CPS1 peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918400 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 87.000, 87.000, 316.880 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.850 - 2.500 |
R-factor | 0.24513 |
Rwork | 0.242 |
R-free | 0.31055 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4utv |
RMSD bond length | 0.008 |
RMSD bond angle | 1.331 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmeas | 0.351 | 8.224 |
Number of reflections | 25573 | 1857 |
<I/σ(I)> | 7.2 | 0.3 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 10.6 | 11.1 |
CC(1/2) | 0.995 | 0.128 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 293 | 0.1 M HEPES 7.7, 20% PEG3350 |