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 |
