2VQO
Structure of HDAC4 catalytic domain with a gain-of-function muation bound to a trifluoromethylketone inhbitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-01-12 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.092, 70.965, 88.331 |
| Unit cell angles | 90.00, 108.11, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.150 |
| R-factor | 0.212 |
| Rwork | 0.210 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vqj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.082 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.210 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.130 | 0.580 |
| Number of reflections | 15329 | |
| <I/σ(I)> | 7.8 | 1.5 |
| Completeness [%] | 97.5 | 97.5 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 1.6M AMMONIUM SULPHATE, 0.1M MES PH 6.5, 10% DIOXANE, 1MM DTT |
