6XDM
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ARYL KETONE INHIBITOR
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 | 2016-06-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 92.255, 99.495, 139.850 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.760 - 1.560 |
R-factor | 0.1684 |
Rwork | 0.167 |
R-free | 0.18860 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 0.960 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.7 (19-MAR-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.500 | 1.563 |
High resolution limit [Å] | 1.558 | 1.558 |
Number of reflections | 183548 | 1799 |
<I/σ(I)> | 15.4 | |
Completeness [%] | 99.9 | |
Redundancy | 6.6 | |
CC(1/2) | 0.999 | 0.680 |
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 |