8AK5
Human Sirt6 in complex with ADP-ribose and fragment pyroglutamic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-05 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 63 |
| Unit cell lengths | 90.986, 90.986, 144.318 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.490 - 2.120 |
| R-factor | 0.1927 |
| Rwork | 0.191 |
| R-free | 0.22170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mf6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.625 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.490 | 2.250 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rmeas | 0.180 | 2.310 |
| Number of reflections | 38344 | 6147 |
| <I/σ(I)> | 9.17 | 0.82 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 7 | 7.2 |
| CC(1/2) | 0.996 | 0.292 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 293 | 1.6 M (NH4)2SO4, 10% PEG 400, and Bis-Tris buffer pH 5.7 |
