5G0I
Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker cleaved) 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 | C 1 2 1 |
| Unit cell lengths | 162.560, 52.830, 186.420 |
| Unit cell angles | 90.00, 108.92, 90.00 |
Refinement procedure
| Resolution | 45.580 - 1.990 |
| R-factor | 0.1752 |
| Rwork | 0.174 |
| R-free | 0.20030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 5G0G AND 5G0H |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.070 | 1.220 |
| Number of reflections | 101593 | |
| <I/σ(I)> | 10.3 | 0.9 |
| Completeness [%] | 98.8 | 94.2 |
| Redundancy | 3.2 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 23% PEG 3350, 0.1M KCL |
