5EEN
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with belinostat
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 | CCD |
| Collection date | 2015-08-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.972, 95.483, 96.336 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.062 - 1.861 |
| R-factor | 0.1849 |
| Rwork | 0.183 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5eek |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.918 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.3_1479) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.167 | 0.831 |
| Number of reflections | 59128 | |
| <I/σ(I)> | 13 | 1.6 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 13 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 0.1 M Bis-Tris, pH 5.5, 25% PEG3350 |
