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 |