9NTB
Crystal structure of human HDAC2 in complex with TNG260
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 92.230, 97.310, 139.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.660 - 1.800 |
| R-factor | 0.1611 |
| Rwork | 0.160 |
| R-free | 0.19670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.799 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.660 | 1.849 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmeas | 0.101 | 0.819 |
| Number of reflections | 221686 | 15079 |
| <I/σ(I)> | 9.1 | 1.54 |
| Completeness [%] | 99.0 | 90.8 |
| Redundancy | 3.6 | 2.1 |
| CC(1/2) | 0.996 | 0.561 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9 | 293 | 35% PEG 600, 100 mM CHES pH 9.0 |
