4RN1
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 | 54.051, 85.124, 95.354 |
| Unit cell angles | 90.00, 100.21, 90.00 |
Refinement procedure
| Resolution | 43.113 - 2.180 |
| R-factor | 0.1835 |
| Rwork | 0.182 |
| R-free | 0.21250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ewf |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.663 |
| 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 | 2.260 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.124 | 0.811 |
| Number of reflections | 44473 | |
| <I/σ(I)> | 13 | 2.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.2 | 6.1 |
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), 13% PEG 3350, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
