2H2H
The Structural basis of sirtuin substrate specificity
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-D |
Synchrotron site | APS |
Beamline | 14-BM-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-12-05 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.810, 59.265, 106.238 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.980 - 2.200 |
R-factor | 0.2 |
Rwork | 0.200 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | : 2H2I |
RMSD bond length | 0.005 |
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 | 2.050 |
High resolution limit [Å] | 2.000 | 1.980 |
Rmerge | 0.071 | 0.401 |
Number of reflections | 20553 | |
<I/σ(I)> | 28.1 | 5.3 |
Completeness [%] | 98.4 | 97.7 |
Redundancy | 4.5 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293.15 | 20 % PEG, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K, pH 9.5 |