6F5T
Crystal Structure of KDM4D with tetrazole ligand GF057
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 | 2017-11-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 72.213, 72.213, 152.078 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.407 - 1.580 |
R-factor | 0.1788 |
Rwork | 0.178 |
R-free | 0.19820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ets |
RMSD bond length | 0.015 |
RMSD bond angle | 1.339 |
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] | 48.407 | 48.407 | 1.670 |
High resolution limit [Å] | 1.580 | 4.710 | 1.580 |
Rmerge | 0.080 | 0.022 | 2.730 |
Rmeas | 0.093 | 0.025 | 3.159 |
Number of reflections | 104082 | 3824 | 16734 |
<I/σ(I)> | 10.31 | 47.44 | 0.51 |
Completeness [%] | 98.5 | 96.4 | 97.8 |
Redundancy | 3.822 | 3.96 | 3.837 |
CC(1/2) | 0.999 | 0.999 | 0.246 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 100mM HEPES, 180mM ammonium sulphate, 24% PEG 3350 |