8JEQ
Crystal structure of Tiragolumab
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-11-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.720, 89.050, 104.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.390 - 1.960 |
R-factor | 0.1877 |
Rwork | 0.186 |
R-free | 0.22190 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.900 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.390 | 2.010 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.060 | 0.981 |
Rmeas | 0.063 | 1.029 |
Rpim | 0.017 | 0.305 |
Total number of observations | 536255 | 32720 |
Number of reflections | 41248 | 2993 |
<I/σ(I)> | 20.9 | 2.4 |
Completeness [%] | 99.8 | |
Redundancy | 13 | 10.9 |
CC(1/2) | 0.999 | 0.763 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.6 M ammonium sulfate, 0.1 M MES pH 6.5, 0.01 M cobalt chloride |