8V5Y
Crystal structure of Tyr p 36.0101 in complex with a poly(L-proline) peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 88.289, 55.518, 59.032 |
| Unit cell angles | 90.00, 121.18, 90.00 |
Refinement procedure
| Resolution | 37.768 - 2.059 |
| Rwork | 0.169 |
| R-free | 0.21530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.483 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.075 | 0.214 |
| Rmeas | 0.082 | 0.267 |
| Rpim | 0.033 | 0.157 |
| Number of reflections | 13911 | 501 |
| <I/σ(I)> | 16.6 | 2.5 |
| Completeness [%] | 91.4 | 65.1 |
| Redundancy | 5.4 | 2.3 |
| CC(1/2) | 0.989 | 0.932 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 298 | 0.1 M lithium citrate pH 3.5, 2.0 M ammonium sulfate |
