3F07
Crystal Structure Analysis of Human HDAC8 complexed with APHA in a new monoclinic crystal form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00850 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.381, 90.171, 92.267 |
| Unit cell angles | 90.00, 94.74, 90.00 |
Refinement procedure
| Resolution | 31.500 - 3.300 |
| R-factor | 0.216 |
| Rwork | 0.216 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w22 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.000 | 3.420 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.136 | 0.435 |
| Number of reflections | 21912 | |
| <I/σ(I)> | 8 | 3.2 |
| Completeness [%] | 98.8 | 99.5 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 298 | Final drop concentrations of 25 mM Tris, 2.5% glycerol, 75 mM KCl, 1-5% PEG 6000, 50 mM MES, 1 mM tri(2-carboxyethyl)phosphine (TCEP), 0.03 mM gly-gly-gly, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
