9YBU
ARID1B ARID bound to compound A-3 (5-(phenylethynyl)pyridine-3-carboxylic acid)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-27 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.953698 |
| Spacegroup name | P 65 |
| Unit cell lengths | 68.671, 68.671, 46.085 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.430 - 1.610 |
| R-factor | 0.18 |
| Rwork | 0.177 |
| R-free | 0.20780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.849 |
| Data reduction software | autoPROC |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.430 | 1.670 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.228 | 3.076 |
| Rpim | 0.052 | |
| Number of reflections | 16160 | 1611 |
| <I/σ(I)> | 10.9 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 20.13 | 20.29 |
| CC(1/2) | 0.998 | 0.734 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 1.5 M sodium citrate, pH 6.5, 0.033% w/v 4-nitrobenzoic acid, 0.033% w/v 5-sulfosalicylic acid dihydrate, 0.033% w/v naphthalene-1,3,6-trisulfonic acid trisodium salt hydrate, 0.002 M HEPES sodium, pH 6.8 |
