8TI6
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 | 2022-07-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 54.974, 54.974, 79.315 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.490 - 1.420 |
| Rwork | 0.133 |
| R-free | 0.15400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.630 |
| 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 | 1.440 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.057 | 0.309 |
| Rmeas | 0.060 | 0.358 |
| Rpim | 0.018 | 0.171 |
| Number of reflections | 25963 | 982 |
| <I/σ(I)> | 38.9 | 2.1 |
| Completeness [%] | 96.8 | 72.7 |
| Redundancy | 10 | 3.7 |
| CC(1/2) | 1.000 | 0.889 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M citric acid pH 4.0, 0.8 M ammonium sulfate |
