7ZZR
HDAC2 in complex with inhibitory ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-08 |
| Detector | DECTRIS EIGER X 1M |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 91.991, 97.700, 138.849 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.690 - 2.168 |
| R-factor | 0.1912 |
| Rwork | 0.188 |
| R-free | 0.24670 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.8 (20-APR-2021)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.900 | 2.240 |
| High resolution limit [Å] | 2.168 | 2.170 |
| Rmeas | 0.357 | 1.410 |
| Number of reflections | 62291 | 6061 |
| <I/σ(I)> | 2.7 | |
| Completeness [%] | 90.9 | |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 41% PEG 300 0.1M pH=8.8 CHES/NaOH |
