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 |