7ZZT
Ligand binding to HDAC2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97242 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 92.208, 98.023, 139.275 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.390 - 1.560 |
| R-factor | 0.1492 |
| Rwork | 0.148 |
| R-free | 0.17330 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.429 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.390 | 1.590 |
| High resolution limit [Å] | 1.557 | 1.557 |
| Rmeas | 0.077 | 0.928 |
| Number of reflections | 177099 | 8730 |
| <I/σ(I)> | 11.1 | 1.8 |
| Completeness [%] | 98.5 | |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 40% PEG 300 0.1M pH=8.6 CHES/NaOH |
