5G0J
Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker intact) in complex with Nexturastat A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 187.224, 187.224, 102.718 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.880 |
| R-factor | 0.1775 |
| Rwork | 0.176 |
| R-free | 0.21410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 5G0G AND 5G0H |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.220 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 162.140 | 2.890 |
| High resolution limit [Å] | 2.880 | 2.880 |
| Rmerge | 0.080 | 0.790 |
| Number of reflections | 47289 | |
| <I/σ(I)> | 20.4 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.2 | 11.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 3.3M SODIUM FORMATE, 17% GLYCEROL, 0.1M TRIS PH 7.5 |
