7U9I
Co-crystal structure of human CARM1 in complex with MT556 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-01-21 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 74.269, 98.197, 206.795 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.210 - 2.000 |
| R-factor | 0.2064 |
| Rwork | 0.203 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dxj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.507 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.350 | 44.350 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.087 | 0.026 | 0.836 |
| Rmeas | 0.096 | 0.029 | 0.927 |
| Rpim | 0.040 | 0.012 | 0.391 |
| Total number of observations | 258148 | 2796 | 18852 |
| Number of reflections | 49481 | 532 | 3771 |
| <I/σ(I)> | 13.7 | 56.6 | 1.8 |
| Completeness [%] | 97.0 | 85.5 | 99.9 |
| Redundancy | 5.2 | 5.3 | 5 |
| CC(1/2) | 0.998 | 0.998 | 0.713 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG3350, 0.2M di-Sodium Tartrate |
