9NPI
X-ray crystal structure of recombinant Can f 1 in complex with human IgE 12F3 Fab
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-25 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.528, 73.950, 77.275 |
| Unit cell angles | 90.00, 99.59, 90.00 |
Refinement procedure
| Resolution | 38.127 - 1.850 |
| Rwork | 0.179 |
| R-free | 0.22550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.405 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.106 | 0.550 |
| Rmeas | 0.115 | 0.596 |
| Rpim | 0.043 | 0.226 |
| Number of reflections | 50951 | 2550 |
| <I/σ(I)> | 15.11 | 2 |
| Completeness [%] | 98.8 | 96.7 |
| Redundancy | 7.1 | 6.8 |
| CC(1/2) | 0.997 | 0.846 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M Lithium chloride, 20% w/v PEG 3,350 |
