8G43
Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(methylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-08-18 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.870, 44.040, 55.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.980 - 1.550 |
| R-factor | 0.16154 |
| Rwork | 0.161 |
| R-free | 0.17700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.028 |
| RMSD bond angle | 1.850 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.980 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.042 | 0.254 |
| Rmeas | 0.046 | 0.279 |
| Rpim | 0.018 | 0.112 |
| Total number of observations | 4598 | |
| Number of reflections | 15157 | 760 |
| <I/σ(I)> | 30.7 | 7.9 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.6 | 6.1 |
| CC(1/2) | 1.000 | 0.974 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 2 M sodium formate, 0.2 M sodium acetate pH4.6, 5 % ethylene glycol |
