7UK2
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NN-390
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-23 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9792 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 51.263, 83.135, 93.276 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.060 - 1.600 |
R-factor | 0.1996 |
Rwork | 0.199 |
R-free | 0.22150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6csr |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 93.280 | 93.280 | 1.620 |
High resolution limit [Å] | 1.600 | 8.740 | 1.600 |
Rmerge | 0.268 | 0.094 | 1.125 |
Rmeas | 0.293 | 0.105 | 1.234 |
Rpim | 0.118 | 0.045 | 0.497 |
Total number of observations | 330695 | 2048 | 14170 |
Number of reflections | 53466 | 397 | 2432 |
<I/σ(I)> | 8 | 17.8 | 1.7 |
Completeness [%] | 99.5 | 99.7 | 92.5 |
Redundancy | 6.2 | 5.2 | 5.8 |
CC(1/2) | 0.975 | 0.991 | 0.594 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 12% PEG3350, 0.2M Potassium thiocyanate |