8TI5
Crystal structure of Tyr p 36.0101
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 | 2022-02-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 55.364, 55.364, 78.814 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.462 - 1.150 |
| Rwork | 0.148 |
| R-free | 0.17060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.698 |
| 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 | 1.170 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.060 | 0.304 |
| Rmeas | 0.063 | 0.349 |
| Rpim | 0.020 | 0.164 |
| Number of reflections | 47953 | 1441 |
| <I/σ(I)> | 34.8 | 2.5 |
| Completeness [%] | 95.3 | 57.8 |
| Redundancy | 9.7 | |
| CC(1/2) | 0.995 | 0.919 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M citric acid pH 3.5, 2 M ammonium sulfate |
