4X3P
Sirt2 in complex with a myristoyl peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.606, 77.700, 56.473 |
| Unit cell angles | 90.00, 97.73, 90.00 |
Refinement procedure
| Resolution | 30.480 - 1.800 |
| R-factor | 0.155 |
| Rwork | 0.154 |
| R-free | 0.17320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4x3o |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.446 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
| Rmerge | 0.073 | 0.044 | 0.489 |
| Rmeas | 0.086 | 0.052 | 0.577 |
| Rpim | 0.045 | 0.028 | 0.302 |
| Total number of observations | 109584 | ||
| Number of reflections | 29676 | ||
| <I/σ(I)> | 11.1 | ||
| Completeness [%] | 99.5 | 96.1 | 100 |
| Redundancy | 3.7 | 3.5 | 3.7 |
| CC(1/2) | 0.993 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 300 | 25% PEG 3350, 0.1M HEPES, 5% Glycerol |
