5D1B
Crystal structure of G117E HDAC8 in complex with TSA
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 | 52.197, 83.031, 98.460 |
| Unit cell angles | 90.00, 102.77, 90.00 |
Refinement procedure
| Resolution | 49.800 - 2.900 |
| R-factor | 0.1947 |
| Rwork | 0.193 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ewf |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.627 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1833) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.800 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.145 | 0.469 |
| Number of reflections | 18263 | |
| <I/σ(I)> | 8.3 | 2.7 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 100 mM BisTris (pH 6.5), 10% (w/v) PEG 35000, 4 mM TCEP |
