9EL8
LSD1-CoREST in complex with T105 1S2R enantiomer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-21 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.987 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 121.485, 178.279, 234.613 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.680 - 2.910 |
| R-factor | 0.2155 |
| Rwork | 0.214 |
| R-free | 0.24430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.519 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 117.310 | 2.990 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.122 | 1.800 |
| Rmeas | 0.133 | 1.945 |
| Rpim | 0.051 | 0.731 |
| Total number of observations | 368602 | 31040 |
| Number of reflections | 56035 | 4481 |
| <I/σ(I)> | 12.8 | 1 |
| Completeness [%] | 99.4 | |
| Redundancy | 6.6 | 6.9 |
| CC(1/2) | 0.998 | 0.568 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 300 | 1.2 Na/K Tartrate, 100 mM ADA pH 6.5 |
