4RN0
Crystal structure of S39D HDAC8 in complex with a largazole analogue.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.921, 85.006, 94.665 |
| Unit cell angles | 90.00, 100.33, 90.00 |
Refinement procedure
| Resolution | 42.906 - 1.761 |
| R-factor | 0.138 |
| Rwork | 0.137 |
| R-free | 0.16210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ewf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.327 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_1833)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.073 | 0.317 |
| Number of reflections | 82963 | |
| <I/σ(I)> | 21.3 | 7.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.5 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 277 | 0.1 M Imidazole (pH=7.0), 4 mM tris(2-carboxyethyl)phosphine (TCEP), 8% PEG 8000, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
