8BOP
LSD1-CoREST in complex with AW4, 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 | 2021-02-06 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.965459 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 119.817, 177.601, 234.886 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.220 - 2.740 |
R-factor | 0.2418 |
Rwork | 0.241 |
R-free | 0.26190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v1d |
RMSD bond length | 0.011 |
RMSD bond angle | 1.404 |
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] | 48.370 | 2.790 |
High resolution limit [Å] | 2.730 | 2.730 |
Rmerge | 0.309 | 6.615 |
Rmeas | 0.346 | 7.450 |
Rpim | 0.152 | 3.332 |
Total number of observations | 306220 | 17616 |
Number of reflections | 66116 | 4113 |
<I/σ(I)> | 5.7 | 0.6 |
Completeness [%] | 99.0 | |
Redundancy | 4.6 | 4.3 |
CC(1/2) | 0.988 | 0.171 |
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 |