4BVB
CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND ADP-RIBOSE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.500, 64.150, 67.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.610 - 2.000 |
| R-factor | 0.17313 |
| Rwork | 0.170 |
| R-free | 0.23153 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bv3 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.134 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.600 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.070 | 0.370 |
| Number of reflections | 18341 | |
| <I/σ(I)> | 18.6 | 3.9 |
| Completeness [%] | 98.1 | 93.1 |
| Redundancy | 4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.08 M KH2PO4 18 % PEG 8000 20% GLYCEROL |
