6ETE
Crystal structure of KDM4D with tetrazolhydrazide compound 5
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 | 2016-05-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 71.464, 71.464, 151.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.732 - 1.468 |
R-factor | 0.128 |
Rwork | 0.128 |
R-free | 0.15340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.031 |
RMSD bond angle | 2.362 |
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] | 47.923 | 47.923 | 1.560 |
High resolution limit [Å] | 1.470 | 4.390 | 1.470 |
Rmerge | 0.044 | 0.021 | 0.694 |
Rmeas | 0.049 | 0.023 | 0.787 |
Total number of observations | 587371 | ||
Number of reflections | 127491 | 4768 | 20523 |
<I/σ(I)> | 18.16 | 62.27 | 2.02 |
Completeness [%] | 99.8 | 99.4 | 99.3 |
Redundancy | 4.607 | 4.644 | 4.539 |
CC(1/2) | 0.999 | 0.999 | 0.685 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 100mM HEPES, 180mM ammonium sulphate, 24% PEG 3350 |