4BN5
Structure of human SIRT3 in complex with SRT1720 inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-14 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 227.820, 246.060, 127.340 |
Unit cell angles | 90.00, 123.88, 90.00 |
Refinement procedure
Resolution | 48.570 - 3.250 |
R-factor | 0.21073 |
Rwork | 0.208 |
R-free | 0.26534 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gls |
RMSD bond length | 0.015 |
RMSD bond angle | 2.220 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 3.300 |
High resolution limit [Å] | 3.250 | 3.250 |
Rmerge | 0.140 | 1.440 |
Number of reflections | 91158 | |
<I/σ(I)> | 9.3 | 1.1 |
Completeness [%] | 99.4 | 99.6 |
Redundancy | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 20% (W/V) PEG3350, 0.2 M SODIUM FLUORIDE |