6ENX
Zebrafish Sirt5 in complex with stalled bicyclic intermediate of inhibitory compound 10
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-11 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.000030 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 116.470, 38.250, 75.550 |
Unit cell angles | 90.00, 122.51, 90.00 |
Refinement procedure
Resolution | 49.110 - 1.950 |
R-factor | 0.19706 |
Rwork | 0.195 |
R-free | 0.24169 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4utv |
RMSD bond length | 0.016 |
RMSD bond angle | 1.971 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmeas | 0.213 | 1.565 |
Number of reflections | 20704 | 1518 |
<I/σ(I)> | 6.8 | 1.1 |
Completeness [%] | 99.1 | 99.2 |
Redundancy | 4.1 | 4.1 |
CC(1/2) | 0.989 | 0.463 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 20% PEG8000 0.2 M MgCl2 0.1 M Tris/HCl pH 8.5 0.1 M Glycine |