4RN2
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 | 2014-08-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.764, 84.712, 94.139 |
| Unit cell angles | 90.00, 100.47, 90.00 |
Refinement procedure
| Resolution | 49.988 - 2.390 |
| R-factor | 0.1896 |
| Rwork | 0.187 |
| R-free | 0.22410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ewf |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.636 |
| 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 | 2.470 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Rmerge | 0.144 | 0.736 |
| Number of reflections | 32705 | |
| <I/σ(I)> | 12.9 | 2.2 |
| Completeness [%] | 98.7 | 97.5 |
| Redundancy | 6 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 0.1 M BisTris (pH = 6.5), 4 mM tris(2-carboxyethyl)phosphine (TCEP), 8% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
