6DVM
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-122
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 | 2017-08-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.450, 95.180, 98.030 |
| Unit cell angles | 90.00, 98.87, 90.00 |
Refinement procedure
| Resolution | 56.423 - 1.470 |
| R-factor | 0.1489 |
| Rwork | 0.148 |
| R-free | 0.16980 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.039 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.890 | 67.890 | 1.500 |
| High resolution limit [Å] | 1.470 | 8.050 | 1.470 |
| Rmerge | 0.129 | 0.048 | 0.723 |
| Total number of observations | 899877 | 5745 | 44887 |
| Number of reflections | 238509 | 1542 | 11722 |
| <I/σ(I)> | 8.2 | 17.4 | 2.8 |
| Completeness [%] | 98.9 | 99.7 | 98.7 |
| Redundancy | 3.8 | 3.7 | 3.8 |
| CC(1/2) | 0.989 | 0.993 | 0.594 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 2% tacsimate (6.0); 0.1 M BisTris (6.5); 20 % PEG 3,350 |
