1ICI
CRYSTAL STRUCTURE OF A SIR2 HOMOLOG-NAD COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-01-01 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 65.410, 94.540, 93.780 |
| Unit cell angles | 90.00, 95.29, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.100 |
| R-factor | 0.203 |
| Rwork | 0.199 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 * |
| RMSD bond angle | 1.510 * |
| Data reduction software | MADNESS |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.065 | 0.199 |
| Total number of observations | 85113 * | |
| Number of reflections | 30346 | |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 90.9 | 58.2 |
| Redundancy | 2.8 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 16 * | PEG 10000, MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 5 (mM) | |
| 3 | 1 | drop | 200 (mM) | ||
| 4 | 1 | drop | beta-mercaptoethanol | 0.1 (%) | |
| 5 | 1 | drop | EDTA | 1 (mM) | |
| 6 | 1 | drop | NAD | 6 (mM) | |
| 7 | 1 | reservoir | MES | 100 (mM) | |
| 8 | 1 | reservoir | PEG10000 | 12 (%) | |
| 9 | 1 | reservoir | cetyltrimethylammonium bromide | 1 (mM) |
