7BOT
Human SIRT2 in complex with myristoyl thiourea inhibitor, No.23
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-23 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.830, 65.494, 114.889 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.700 |
R-factor | 0.2541 |
Rwork | 0.251 |
R-free | 0.31960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4y6l |
RMSD bond length | 0.005 |
RMSD bond angle | 1.307 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.980 |
High resolution limit [Å] | 1.540 | 1.540 |
Rmerge | 0.051 | 0.953 |
Number of reflections | 40773 | 39028 |
<I/σ(I)> | 19.8 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.15M Potassium bromide, 30% (w/v) Polyethylene glycol monomethyl ether 2000 |