8VQF
X-ray crystal structure of natural Can f 1 in complex with human IgE 1J11 Fab
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-12 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 154.758, 154.758, 89.415 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.964 - 3.109 |
| Rwork | 0.248 |
| R-free | 0.26810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7mlh |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.938 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.150 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.160 | 1.079 |
| Rmeas | 0.168 | 1.132 |
| Rpim | 0.052 | 0.339 |
| Number of reflections | 22392 | 1096 |
| <I/σ(I)> | 20.6 | 2.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10 | 11 |
| CC(1/2) | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 2 M ammonium sulfate, 0.1 M Tris, pH 8 |
