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 |