5Y0Z
Human SIRT2 in complex with a specific inhibitor, NPD11033
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-23 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.987, 115.685, 71.055 |
Unit cell angles | 90.00, 89.99, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.21184 |
Rwork | 0.210 |
R-free | 0.24202 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4y6l |
RMSD bond length | 0.003 |
RMSD bond angle | 1.036 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 2.000 | 1.990 |
Rmerge | 0.039 | 0.075 |
Number of reflections | 38772 | |
<I/σ(I)> | 35.8 | |
Completeness [%] | 99.9 | 98.6 |
Redundancy | 5.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 25%(w/v) PEG 3350, 0.1M BisTris, pH 5.5 |