3PKI
Human SIRT6 crystal structure in complex with ADP ribose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97945 |
| Spacegroup name | P 1 |
| Unit cell lengths | 77.367, 90.200, 90.180 |
| Unit cell angles | 118.09, 91.39, 115.80 |
Refinement procedure
| Resolution | 29.870 - 2.040 |
| R-factor | 0.1842 |
| Rwork | 0.183 |
| R-free | 0.21310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k35 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.940 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.119 | 0.956 |
| Number of reflections | 118501 | |
| <I/σ(I)> | 14.6 | 1.7 |
| Completeness [%] | 98.2 | 97 |
| Redundancy | 4.5 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.8 | 297 | 2M NH4SO4, 2%PEG400, 0.1M BIS-TRIS pH5.8, temperature 297K |
