5VAR
Crystal structure of KDM4A tandem TUDOR domain in complex with a tri-methyl lysine competitive inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.270, 39.840, 44.300 |
| Unit cell angles | 90.00, 101.61, 90.00 |
Refinement procedure
| Resolution | 32.590 - 1.830 |
| R-factor | 0.196 |
| Rwork | 0.194 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gfa |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.12) |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.840 | 39.840 | 1.930 |
| High resolution limit [Å] | 1.830 | 5.780 | 1.830 |
| Rmerge | 0.086 | 0.052 | 0.654 |
| Rmeas | 0.099 | 0.061 | 0.763 |
| Rpim | 0.049 | 0.030 | 0.386 |
| Total number of observations | 38231 | ||
| Number of reflections | 9890 | ||
| <I/σ(I)> | 10.7 | ||
| Completeness [%] | 97.2 | 98.1 | 95.2 |
| Redundancy | 3.9 | 3.6 | 3.7 |
| CC(1/2) | 0.997 | 0.998 | 0.731 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | 18%(w/v) PEG 8000, 0.2M calcium acetate, 0.1M sodium cacodylate pH 6.5 |
