2H2F
The Structural basis for Sirtuin Substrate affinity
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-08-14 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.645, 59.310, 105.953 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.960 - 2.200 |
R-factor | 0.206 |
Rwork | 0.206 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | : 2H2I |
RMSD bond length | 0.006 |
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 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.092 | 0.660 |
Number of reflections | 17279 | |
<I/σ(I)> | 29.2 | 3.7 |
Completeness [%] | 99.2 | 98.6 |
Redundancy | 6.2 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 9.6 | 298 | 20% PEG, pH 9.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 9.60 |