6H0Z
Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR067
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 | 2016-10-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 71.900, 71.900, 151.251 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.193 - 1.340 |
R-factor | 0.1293 |
Rwork | 0.129 |
R-free | 0.15120 |
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] | 48.191 | 48.191 | 1.420 |
High resolution limit [Å] | 1.340 | 4.010 | 1.340 |
Rmerge | 0.067 | 0.019 | 0.904 |
Rmeas | 0.073 | 0.021 | 0.985 |
Total number of observations | 1148877 | ||
Number of reflections | 169112 | 6341 | 26862 |
<I/σ(I)> | 18.42 | 79.26 | 1.87 |
Completeness [%] | 99.4 | 99.8 | 97.7 |
Redundancy | 6.794 | 6.907 | 6.365 |
CC(1/2) | 1.000 | 1.000 | 0.677 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 100mM HEPES, 180mM ammonium sulphate, 24% PEG 3350 |