5EFJ
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with HC toxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2015-10-01 |
| Detector | RDI CMOS_8M |
| Wavelength(s) | 1.00003 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 83.530, 94.144, 51.476 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.072 - 1.730 |
| R-factor | 0.153 |
| Rwork | 0.152 |
| R-free | 0.17310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5eek |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.308 |
| 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 | 1.850 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.151 | 0.442 |
| Number of reflections | 42871 | |
| <I/σ(I)> | 14 | 1.6 |
| Completeness [%] | 98.7 | 90.6 |
| Redundancy | 6.6 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M sodium nitrate, 20% PEG3350 |
