4BV2
CRYSTAL STRUCTURE OF SIR2 IN COMPLEX WITH THE INHIBITOR EX-527, 2'-O-ACETYL-ADP-RIBOSE AND DEACETYLATED P53-PEPTIDE
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 | 2012-11-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 43 |
| Unit cell lengths | 45.950, 45.950, 241.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.470 - 3.300 |
| R-factor | 0.2489 |
| Rwork | 0.245 |
| R-free | 0.31781 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yc5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.133 |
| 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] | 60.470 | 3.400 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.110 | 1.050 |
| Number of reflections | 31261 | |
| <I/σ(I)> | 11.54 | 1.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.2 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.9 | 20% PEG 6000, 0.1 M BIS-TRIS PH5.9 |
