6ETV
Crystal structure of KDM4D with tetrazolhydrazide compound 2
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 | 71.490, 71.490, 150.444 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.918 - 1.180 |
R-factor | 0.1216 |
Rwork | 0.121 |
R-free | 0.15000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ets |
RMSD bond length | 0.024 |
RMSD bond angle | 2.216 |
Data reduction software | X-Area |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.918 | 47.918 | 1.250 |
High resolution limit [Å] | 1.180 | 3.520 | 1.180 |
Rmerge | 0.067 | 0.028 | 0.878 |
Rmeas | 0.072 | 0.030 | 0.955 |
Total number of observations | 1671018 | ||
Number of reflections | 247119 | 9246 | 39529 |
<I/σ(I)> | 16.04 | 64.4 | 2.01 |
Completeness [%] | 99.8 | 99.9 | 98.7 |
Redundancy | 6.762 | 6.867 | 6.475 |
CC(1/2) | 0.999 | 0.999 | 0.694 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 100mM HEPES, 180mM ammonium sulphate, 24% PEG 3350 |