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 |