8TI7
Crystal structure of profilin from Dermatophagoides pteronyssinus in complex with a poly(L-proline) peptide
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 | 2022-04-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | H 3 |
| Unit cell lengths | 152.802, 152.802, 186.854 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.161 - 2.397 |
| Rwork | 0.166 |
| R-free | 0.19480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.373 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.440 |
| High resolution limit [Å] | 2.397 | 2.400 |
| Rmerge | 0.069 | 0.662 |
| Rmeas | 0.078 | 0.735 |
| Rpim | 0.036 | 0.318 |
| Number of reflections | 63158 | 3136 |
| <I/σ(I)> | 30.4 | 2.1 |
| Completeness [%] | 99.4 | 99.7 |
| Redundancy | 4.9 | 5.2 |
| CC(1/2) | 0.999 | 0.687 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M BIS-TRIS pH 6.5, 2 M ammonium sulfate |
