6WBZ
Structure of Human HDAC2 in complex with an ethyl ketone inhibitor containing a spiro-bicyclic group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 92.390, 99.170, 139.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.260 - 1.320 |
R-factor | 0.173 |
Rwork | 0.172 |
R-free | 0.19200 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.560 | 1.343 |
High resolution limit [Å] | 1.320 | 1.320 |
Number of reflections | 298863 | 14601 |
<I/σ(I)> | 13.1 | |
Completeness [%] | 99.9 | |
Redundancy | 6.6 | |
CC(1/2) | 0.999 | 0.620 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5 |