6H0Y
Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS022
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 71.554, 71.554, 150.737 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.966 - 1.212 |
R-factor | 0.1245 |
Rwork | 0.124 |
R-free | 0.15840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ets |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.967 | 47.967 | 1.290 |
High resolution limit [Å] | 1.210 | 3.630 | 1.210 |
Rmerge | 0.059 | 0.024 | 0.964 |
Rmeas | 0.064 | 0.026 | 1.044 |
Number of reflections | 226689 | 8454 | 36392 |
<I/σ(I)> | 17.13 | 69.99 | 1.83 |
Completeness [%] | 99.8 | 99.7 | 99.1 |
Redundancy | 6.795 | 6.93 | 6.722 |
CC(1/2) | 1.000 | 0.999 | 0.667 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 100mM HEPES, 180mM ammonium sulphate, 24% PEG 3350 |