2H2D
The Structural Basis for Sirtuin Substrate Affinity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-ID-B |
| Synchrotron site | APS |
| Beamline | 14-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-02-06 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.222, 58.698, 104.463 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.540 - 1.700 |
| R-factor | 0.221 |
| Rwork | 0.221 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.230 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.070 | 0.599 |
| Number of reflections | 31360 | |
| <I/σ(I)> | 24.2 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.8 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9.6 | 298 | 20% PEG 3350, 0.1 M CHES pH 9.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 9.60 |
