6CSS
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with cyclopentenylhydroxamate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97933 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.791, 92.021, 96.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.320 - 1.700 |
| R-factor | 0.1707 |
| Rwork | 0.170 |
| R-free | 0.19330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.697 |
| Data reduction software | MOSFLM |
| 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] | 96.640 | 96.640 | 1.730 |
| High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
| Rmerge | 0.224 | 0.068 | 1.558 |
| Rmeas | 0.242 | 0.075 | 1.700 |
| Rpim | 0.091 | 0.029 | 0.670 |
| Total number of observations | 507763 | 3469 | 24521 |
| Number of reflections | 74006 | 595 | 3865 |
| <I/σ(I)> | 8.6 | 13.7 | 3.4 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 6.9 | 5.8 | 6.3 |
| CC(1/2) | 0.991 | 0.994 | 0.605 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M ammonium tartrate 20% PEG 3,350 |
