8SU8
Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-(furan-2-yl)-2-hydroxy-1-naphthaldehyde).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-10-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.500, 77.536, 58.431 |
| Unit cell angles | 90.00, 91.60, 90.00 |
Refinement procedure
| Resolution | 46.650 - 2.010 |
| R-factor | 0.206 |
| Rwork | 0.204 |
| R-free | 0.23810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.526 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.410 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.072 | 0.749 |
| Number of reflections | 34445 | 988 |
| <I/σ(I)> | 14.92 | |
| Completeness [%] | 88.7 | |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 20% PEG 3350, 100 mM Tris, pH 8.5, 100 mM KCl |
