4BN4
Structure of human SIRT3 in complex with 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 | 2012-11-14 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.900, 66.670, 66.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.210 - 1.300 |
| R-factor | 0.13993 |
| Rwork | 0.138 |
| R-free | 0.17950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fvt |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.192 |
| 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] | 25.000 | 1.400 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.090 | 1.360 |
| Number of reflections | 69702 | |
| <I/σ(I)> | 15.1 | 1.2 |
| Completeness [%] | 98.4 | 96.8 |
| Redundancy | 6.8 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 30% (V/V) PEG600, 5%(W/V) PEG1000, 10% (V/V) GLYCEROL, 0.1 M MES, PH 6.0 |
