2VQJ
Structure of HDAC4 catalytic domain 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 | 2005-06-10 |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 106.770, 137.562, 68.993 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 84.000 - 2.100 |
R-factor | 0.228 |
Rwork | 0.225 |
R-free | 0.27600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1W22 AND A MODEL BUILD FROM A SAD DATASET |
RMSD bond length | 0.009 |
RMSD bond angle | 1.315 |
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] | 84.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.060 | 0.520 |
Number of reflections | 28496 | |
<I/σ(I)> | 31.3 | 3.12 |
Completeness [%] | 100.0 | 99.6 |
Redundancy | 7.2 | 5.5 |
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 |