8I2B
Human SIRT6 in complex with inhibitor 7702
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-17 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 63 |
| Unit cell lengths | 91.318, 91.318, 143.674 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.970 - 2.200 |
| R-factor | 0.19442 |
| Rwork | 0.192 |
| R-free | 0.23751 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.598 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (CCP4 Interface 7.1.010) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.970 | 2.279 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 34506 | 5567 |
| <I/σ(I)> | 15.35 | |
| Completeness [%] | 99.9 | |
| Redundancy | 19.17 | |
| CC(1/2) | 0.990 | 0.965 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M Bis-tris pH 5.7, 1.6 M (NH4)2SO4, 10% PEG400 |
