8EPU
1.6 A crystal structure of the lipocalin dog allergen Can f 1 with the C118S mutation
This is a non-PDB format compatible entry.
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 | 2021-09-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 62.214, 36.512, 57.973 |
Unit cell angles | 90.00, 100.80, 90.00 |
Refinement procedure
Resolution | 31.340 - 1.600 |
R-factor | 0.2117 |
Rwork | 0.211 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Alphafold |
RMSD bond length | 0.009 |
RMSD bond angle | 1.020 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 16064 | 684 |
<I/σ(I)> | 25.98 | |
Completeness [%] | 94.0 | |
Redundancy | 3.1 | |
CC(1/2) | 0.986 | 0.975 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 35 % PEG 4000 |