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 |