8JEP
Crystal structure of Ociperlimab
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 | 63.500, 112.300, 159.880 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.860 - 1.700 |
R-factor | 0.1856 |
Rwork | 0.184 |
R-free | 0.21010 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.852 |
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] | 26.650 | 1.740 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.052 | 1.145 |
Rmeas | 0.054 | 1.201 |
Rpim | 0.015 | 0.359 |
Total number of observations | 1669149 | 101839 |
Number of reflections | 126278 | 9236 |
<I/σ(I)> | 22.5 | 2.1 |
Completeness [%] | 100.0 | |
Redundancy | 13.2 | 11 |
CC(1/2) | 0.999 | 0.855 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.095 M sodium citrate pH 5.6, 19% isopropanol, 19% PEG4000, 5% glycerol |