1T67
Crystal Structure of Human HDAC8 complexed with MS-344
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-05-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 80.644, 80.644, 105.523 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 69.010 - 2.310 |
| R-factor | 0.215 |
| Rwork | 0.212 |
| R-free | 0.27368 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t64 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.137 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.051 | 0.550 |
| Number of reflections | 16130 | |
| <I/σ(I)> | 30 | 2.4 |
| Completeness [%] | 94.0 | 93 |
| Redundancy | 5.8 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 277 | PEG 8000, HEPES, pH 7.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
