9QXQ
native structure of full-length pesticidal protein Cry1Ca18 at pH9, from crystals formed in vivo
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | EUROPEAN XFEL BEAMLINE SPB/SFX |
| Synchrotron site | European XFEL |
| Beamline | SPB/SFX |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2023-05-11 |
| Detector | AGIPD |
| Wavelength(s) | 1.33 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 88.800, 88.800, 267.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.910 - 1.650 |
| R-factor | 0.17906 |
| Rwork | 0.178 |
| R-free | 0.20640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.745 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.910 | 1.690 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 122789 | 8223 |
| <I/σ(I)> | 23.214064 | 0.44 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 1379 | |
| CC(1/2) | 0.999 | 0.180 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | IN CELL | 9 | 298 | Naturally grown |
