4ZZJ
SIRT1/Activator/Substrate Complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-09 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 94.510, 94.510, 356.840 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.680 - 2.740 |
R-factor | 0.1844 |
Rwork | 0.182 |
R-free | 0.22140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3GLU and 4IG9 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.938 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 91.360 | 2.860 |
High resolution limit [Å] | 2.740 | 2.740 |
Rmerge | 0.082 | 0.829 |
Number of reflections | 21821 | |
<I/σ(I)> | 20.7 | 3.3 |
Completeness [%] | 99.5 | 99.4 |
Redundancy | 9.6 | 9.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 5% v/v Tacsimate, pH .00.1 M HEPES pH 7.0 and 10% w/v PEG 5000 MME |