6ETG
Crystal structure of KDM4D with tetrazolhydrazide compound 6
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 | 2016-05-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 71.854, 71.854, 151.531 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.927 - 1.279 |
R-factor | 0.1243 |
Rwork | 0.124 |
R-free | 0.15750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.029 |
RMSD bond angle | 2.456 |
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] | 48.173 | 48.173 | 1.360 |
High resolution limit [Å] | 1.280 | 3.830 | 1.280 |
Rmerge | 0.049 | 0.019 | 0.752 |
Rmeas | 0.055 | 0.021 | 0.853 |
Total number of observations | 890260 | ||
Number of reflections | 195540 | 7271 | 31559 |
<I/σ(I)> | 16.91 | 64.51 | 1.94 |
Completeness [%] | 99.8 | 99.2 | 99.3 |
Redundancy | 4.553 | 4.585 | 4.538 |
CC(1/2) | 0.999 | 0.999 | 0.636 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 100mM HEPES, 180mM ammonium sulphate, 24% PEG 3350 |