7KYW
Crystal structure of timothy grass allergen Phl p 12.0101 reveals an unusual profilin dimer
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 | 2020-10-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 56.344, 56.344, 94.379 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.940 - 2.300 |
R-factor | 0.1997 |
Rwork | 0.197 |
R-free | 0.24150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5fef |
RMSD bond length | 0.014 |
RMSD bond angle | 1.490 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.054 | 0.698 |
Rmeas | 0.066 | 0.766 |
Rpim | 0.021 | 0.238 |
Number of reflections | 8119 | 405 |
<I/σ(I)> | 50.3 | 2.2 |
Completeness [%] | 99.8 | 100 |
Redundancy | 10.4 | 10.1 |
CC(1/2) | 0.942 | 0.825 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 277 | 0.5 M sodium citrate at pH 6.5 |