8AMC
Crystal Structure of cat allergen Fel d 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.873128 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.291, 120.571, 67.149 |
| Unit cell angles | 90.00, 106.51, 90.00 |
Refinement procedure
| Resolution | 34.110 - 2.950 |
| Rwork | 0.179 |
| R-free | 0.22990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | alphafold |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.740 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.110 | 3.055 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.145 | 0.828 |
| Rmeas | 0.173 | 0.983 |
| Rpim | 0.094 | 0.523 |
| Number of reflections | 21622 | 2177 |
| <I/σ(I)> | 9.8 | |
| Completeness [%] | 99.6 | |
| Redundancy | 6.5 | 6.7 |
| CC(1/2) | 0.993 | 0.722 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.5 | 293.15 | 0.1 M Sodium acetate trihydrate pH 4.5, 2.0 M Ammonium sulfate |
