8FRI
LSD1-CoREST in complex with AW4, short soaking
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-06-22 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.999869 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 118.427, 178.992, 233.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.380 - 2.800 |
| R-factor | 0.2166 |
| Rwork | 0.216 |
| R-free | 0.24120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.377 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.380 | 2.870 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.067 | 1.536 |
| Rmeas | 0.073 | 1.660 |
| Rpim | 0.028 | 0.624 |
| Total number of observations | 423392 | 31133 |
| Number of reflections | 61215 | 4473 |
| <I/σ(I)> | 17.3 | 1.4 |
| Completeness [%] | 99.7 | |
| Redundancy | 6.9 | 7 |
| CC(1/2) | 0.999 | 0.668 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.2 M Sodium/Potassium Tartrate, 100 mM ADA pH 6.5 |
