6ETS
Crystal structure of KDM4D with tetrazolhydrazide compound 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.3 |
Synchrotron site | BESSY |
Beamline | 14.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-22 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.894 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 71.631, 71.631, 150.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.034 - 1.333 |
R-factor | 0.1291 |
Rwork | 0.129 |
R-free | 0.15590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hoo |
RMSD bond length | 0.035 |
RMSD bond angle | 2.617 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.014 | 48.014 | 1.410 |
High resolution limit [Å] | 1.330 | 3.990 | 1.330 |
Rmerge | 0.059 | 0.019 | 0.759 |
Rmeas | 0.067 | 0.021 | 0.869 |
Total number of observations | 687453 | ||
Number of reflections | 168562 | 6031 | 27266 |
<I/σ(I)> | 16.18 | 63.21 | 1.92 |
Completeness [%] | 98.5 | 94.2 | 98.6 |
Redundancy | 4.078 | 4.384 | 3.982 |
CC(1/2) | 0.999 | 0.999 | 0.613 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 100mM HEPES, 180mM ammonium sulphate, 24% PEG 3350 |