4QA3
Crystal structure of T311M HDAC8 in complex with Trichostatin A (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 | 2013-04-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.186, 83.094, 94.297 |
| Unit cell angles | 90.00, 95.94, 90.00 |
Refinement procedure
| Resolution | 46.896 - 2.876 |
| R-factor | 0.1834 |
| Rwork | 0.178 |
| R-free | 0.23370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ewf |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.609 |
| 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 | 2.970 |
| High resolution limit [Å] | 2.870 | 2.870 |
| Rmerge | 0.120 | 0.484 |
| Number of reflections | 17775 | |
| <I/σ(I)> | 11.4 | 3 |
| Completeness [%] | 98.6 | 93.2 |
| Redundancy | 4.5 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 294 | 0.1 M Bicine (pH = 8.5), 15% PEG 10000, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
