9NPH
X-ray crystal structure of recombinant Can f 1 in complex with human IgE mAb 1J11 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 31 2 1 |
| Unit cell lengths | 69.511, 69.511, 247.040 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.221 - 2.592 |
| Rwork | 0.215 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.506 |
| 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 | 2.630 |
| High resolution limit [Å] | 2.590 | 2.590 |
| Rmerge | 0.122 | 0.660 |
| Rmeas | 0.128 | 0.691 |
| Rpim | 0.037 | 0.192 |
| Number of reflections | 20567 | 1008 |
| <I/σ(I)> | 15.9 | |
| Completeness [%] | 91.6 | 93.2 |
| Redundancy | 9.9 | 9.6 |
| CC(1/2) | 0.979 | 0.995 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M Lithium sulfate monohydrate, 0.1 M HEPES , 25% w/v PEG 3,350 |
