7UVA
Crystal structure of KDM2A histone demethylase catalytic domain in complex with an H3C36 peptide modified by UNC8015
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-03-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.903, 87.054, 176.177 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 88.090 - 1.980 |
| R-factor | 0.18552 |
| Rwork | 0.183 |
| R-free | 0.23701 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qx7 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.764 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.090 | 2.030 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.190 | |
| Rmeas | 0.220 | |
| Rpim | 0.090 | |
| Number of reflections | 58130 | 4103 |
| <I/σ(I)> | 6.48 | |
| Completeness [%] | 97.3 | 98.3 |
| Redundancy | 6.3 | 6.7 |
| CC(1/2) | 0.991 | 0.674 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 100 mM Tris-Cl, pH 8.5, 150 mM lithium sulfate, 20% PEG3350 |
