4R8M
Human SIRT2 crystal structure in complex with BHJH-TM1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-30 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.977 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.936, 116.799, 70.905 |
| Unit cell angles | 90.00, 91.77, 90.00 |
Refinement procedure
| Resolution | 45.110 - 2.100 |
| R-factor | 0.22353 |
| Rwork | 0.221 |
| R-free | 0.27332 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zgo |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.241 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.105 | 0.551 |
| Number of reflections | 35229 | |
| <I/σ(I)> | 9.921 | 2.385 |
| Completeness [%] | 97.7 | 97.3 |
| Redundancy | 4.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 25%(v/v) PEG3350, 0.1M Hepes buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
