7ZZR
HDAC2 in complex with inhibitory ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-08 |
Detector | DECTRIS EIGER X 1M |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.991, 97.700, 138.849 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.690 - 2.168 |
R-factor | 0.1912 |
Rwork | 0.188 |
R-free | 0.24670 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.012 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.8 (20-APR-2021)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 79.900 | 2.240 |
High resolution limit [Å] | 2.168 | 2.170 |
Rmeas | 0.357 | 1.410 |
Number of reflections | 62291 | 6061 |
<I/σ(I)> | 2.7 | |
Completeness [%] | 90.9 | |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 41% PEG 300 0.1M pH=8.8 CHES/NaOH |