4BVE
CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THIOALKYLIMIDATE FORMED FROM THIO-ACETYL-LYSINE ACS2-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 | 2012-01-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 80.990, 126.970, 76.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.140 - 2.050 |
| R-factor | 0.1642 |
| Rwork | 0.162 |
| R-free | 0.20789 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3glt |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.108 |
| 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] | 34.100 | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.110 | 0.570 |
| Number of reflections | 25087 | |
| <I/σ(I)> | 13.2 | 2.9 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 4.1 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 25% PEG 3350, 0.2 M LISO4, 0.1 M NA CITRATE PH 5.6 |
