4QA6
Crystal structure of I243N/Y306F HDAC8 in complex with a tetrapeptide substrate
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 | 2013-10-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.832, 85.071, 94.444 |
| Unit cell angles | 90.00, 97.55, 90.00 |
Refinement procedure
| Resolution | 47.769 - 2.053 |
| R-factor | 0.1822 |
| Rwork | 0.181 |
| R-free | 0.21180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ewf |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.669 |
| 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 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.115 | 0.807 |
| Number of reflections | 49982 | |
| <I/σ(I)> | 16.7 | 2.4 |
| Completeness [%] | 98.3 | 95.4 |
| Redundancy | 7.5 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.1 M tris(hydroxymethyl)aminomethane) (TRIS, pH = 8.0), 4 mM tris(2-carboxyethyl)phosphine (TCEP), 15% PEG 10000, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
