9NPG
X-ray crystal structure of recombinant Can f 1-C100S in complex with human IgE mAb 12F3 Fab
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-29 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.407, 191.156, 88.187 |
| Unit cell angles | 90.00, 102.91, 90.00 |
Refinement procedure
| Resolution | 39.670 - 3.120 |
| R-factor | 0.20524 |
| Rwork | 0.203 |
| R-free | 0.24488 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.291 |
| 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 | 3.170 |
| High resolution limit [Å] | 3.120 | 3.120 |
| Rmerge | 0.257 | 0.749 |
| Rmeas | 0.278 | 0.813 |
| Rpim | 0.104 | 0.314 |
| Number of reflections | 46837 | 2313 |
| <I/σ(I)> | 7.47 | 1.97 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7 | 6.6 |
| CC(1/2) | 0.976 | 0.598 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 277.15 | 0.2 M NaCl, 0.1 M sodium citrate tribasic dihydrate pH 4.2, 20% w/v PEG 8,000 conditions |
