5EEI
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with SAHA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-23 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.28184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.790, 83.551, 86.806 |
| Unit cell angles | 90.00, 98.09, 90.00 |
Refinement procedure
| Resolution | 36.258 - 1.320 |
| R-factor | 0.1263 |
| Rwork | 0.125 |
| R-free | 0.14750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cbt |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.323 |
| 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 | 1.490 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.124 | 1.170 |
| Number of reflections | 170725 | |
| <I/σ(I)> | 40 | 2 |
| Completeness [%] | 95.0 | 90.7 |
| Redundancy | 3.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 0.1 M Bis-Tris, pH 6.5, 0.2 M magnesium chloride, 25% PEG5000 MME |
