2H2I
The Structural basis of Sirtuin Substrate Affinity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2003-12-01 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 4 3 2 |
| Unit cell lengths | 133.107, 133.107, 133.107 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 129.100 - 1.800 |
| R-factor | 0.18767 |
| Rwork | 0.186 |
| R-free | 0.21253 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 1ICI |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.753 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.940 | 1.800 |
| Rmerge | 0.078 | 0.370 |
| Number of reflections | 37913 | |
| <I/σ(I)> | 10 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 18 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.5M (NH4)2SO4, 4% PPG, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
