4QA0
Crystal structure of C153F HDAC8 in complex with SAHA
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 | 53.523, 84.751, 95.003 |
| Unit cell angles | 90.00, 99.29, 90.00 |
Refinement procedure
| Resolution | 44.827 - 2.242 |
| R-factor | 0.1801 |
| Rwork | 0.178 |
| R-free | 0.21030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ewf |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.735 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_1370)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.320 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.130 | 0.711 |
| Number of reflections | 40281 | |
| <I/σ(I)> | 13.7 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.5 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.1 M tris(hydroxymethyl)aminomethane) (TRIS, pH = 8), 4 mM tris(2-carboxyethyl)phosphine (TCEP), 17% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
