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 |