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 |