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) |