1VKG
Crystal Structure of Human HDAC8 complexed with CRA-19156
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-12-05 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.630, 92.710, 98.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.000 - 2.200 |
Rwork | 0.237 |
R-free | 0.30400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t64 |
RMSD bond length | 0.018 |
RMSD bond angle | 3.800 |
Data reduction software | Crystal |
Data scaling software | CrystalClear ((MSC/RIGAKU)) |
Phasing software | X-SIGHT |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.740 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.092 | 0.342 |
Number of reflections | 37725 | |
<I/σ(I)> | 6.4 | 1.7 |
Completeness [%] | 96.2 | 80.7 |
Redundancy | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG 3350, 0.2M KCl, pH 6.8-7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |