8A0B
Inhibitor binding to HDAC2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-15 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 92.221, 98.018, 139.402 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.170 - 1.746 |
| R-factor | 0.1661 |
| Rwork | 0.165 |
| R-free | 0.18800 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.070 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.8 (16-JUL-2021)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.180 | 1.840 |
| High resolution limit [Å] | 1.746 | 1.746 |
| Rmeas | 0.088 | 0.877 |
| Number of reflections | 124593 | 8563 |
| <I/σ(I)> | 13 | 2.4 |
| Completeness [%] | 96.9 | |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 41% PEG 300 .1M pH=8.8 CHES/NaOH |
