8F30
LSD1-CoREST in complex with AW2, long 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 | 2022-05-11 |
Detector | DECTRIS PILATUS 12M |
Wavelength(s) | 0.967700 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 119.207, 179.758, 234.695 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.570 - 3.100 |
R-factor | 0.2029 |
Rwork | 0.202 |
R-free | 0.22290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v1d |
RMSD bond length | 0.011 |
RMSD bond angle | 1.338 |
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] | 47.570 | 3.210 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.231 | 3.495 |
Rmeas | 0.240 | 3.622 |
Rpim | 0.064 | 0.945 |
Total number of observations | 640118 | 65117 |
Number of reflections | 45927 | 4493 |
<I/σ(I)> | 10.4 | 1.1 |
Completeness [%] | 99.7 | |
Redundancy | 13.9 | 14.5 |
CC(1/2) | 0.998 | 0.439 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.2 Na/K Tartrate, 100 mM ADA pH 6.5 |