7RY5
Cellular Retinoic Acid Binding Protein II with Bound Inhibitor 4-[6-({4-[(fluorosulfonyl)oxy]phenyl}ethynyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2H)-yl]-4-oxobutanoic acid
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-03-17 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 36.604, 69.655, 120.845 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.057 - 2.000 |
| Rwork | 0.175 |
| R-free | 0.23330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hkr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.668 |
| Data reduction software | HKL-2000 (v714n) |
| Data scaling software | HKL-2000 (v714n) |
| Phasing software | PHASER (Phaser-2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.127 | 0.553 |
| Rmeas | 0.139 | 0.602 |
| Rpim | 0.055 | 0.236 |
| Number of reflections | 21965 | 2169 |
| <I/σ(I)> | 19.5 | 3.57 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 6.4 | 6.5 |
| CC(1/2) | 0.877 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1M Sodium Acetate, 18% PEG4000 |
