2H2F
The Structural basis for Sirtuin Substrate affinity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-08-14 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.645, 59.310, 105.953 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.960 - 2.200 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 2H2I |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.092 | 0.660 |
| Number of reflections | 17279 | |
| <I/σ(I)> | 29.2 | 3.7 |
| Completeness [%] | 99.2 | 98.6 |
| Redundancy | 6.2 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9.6 | 298 | 20% PEG, pH 9.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 9.60 |
