6G5W
Crystal Structure of KDM4A with compound YP-03-038
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 | 2015-09-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 99.362, 148.574, 56.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.571 - 1.830 |
R-factor | 0.1775 |
Rwork | 0.176 |
R-free | 0.21770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pdq |
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] | 46.571 | 46.571 | 1.940 |
High resolution limit [Å] | 1.830 | 5.450 | 1.830 |
Rmerge | 0.061 | 0.031 | 0.910 |
Rmeas | 0.068 | 0.035 | 1.002 |
Total number of observations | 432868 | ||
Number of reflections | 74525 | 3029 | 11712 |
<I/σ(I)> | 15.78 | 45.08 | 1.89 |
Completeness [%] | 99.5 | 98.6 | 98 |
Redundancy | 5.808 | 5.425 | 5.64 |
CC(1/2) | 0.999 | 0.999 | 0.711 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 277 | 100mM Citrate, 10mM NiCl2, 20% PEG 3350 |