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 |