8Y9O
Crystal structure of AtKAI2 in complex with KK181N1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-31 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.314, 64.042, 114.958 |
| Unit cell angles | 90.00, 104.79, 90.00 |
Refinement procedure
| Resolution | 42.350 - 1.900 |
| R-factor | 0.2409 |
| Rwork | 0.239 |
| R-free | 0.27470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jyp |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.814 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER (1.19.2) |
| Refinement software | PHENIX (1.21.5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.540 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.128 | 0.936 |
| Rpim | 0.068 | 0.488 |
| Number of reflections | 94191 | 4662 |
| <I/σ(I)> | 7.8 | 1.9 |
| Completeness [%] | 99.4 | 99.9 |
| Redundancy | 3.5 | 3.6 |
| CC(1/2) | 0.993 | 0.508 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.7 M sodium phosphate, pH 7.0, and 1% 1,2-butanediol |
