4ZZI
SIRT1/Activator/Inhibitor Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.12713 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 122.150, 122.150, 104.920 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.983 - 2.735 |
| R-factor | 0.1931 |
| Rwork | 0.191 |
| R-free | 0.23460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3GLU and 4IG9 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.898 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.983 | 2.950 |
| High resolution limit [Å] | 2.730 | 2.730 |
| Rmerge | 0.053 | 0.803 |
| Number of reflections | 12735 | |
| <I/σ(I)> | 38.8 | 4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 17.6 | 18.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.55 M Sodium chloride, 0.1 M MES pH 6.5, and 20 % w/v PEG 4000 |
