8GAD
Crystal structure of a high affinity PD-L1 binder
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-12-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.92 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 67.242, 67.242, 101.902 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.620 - 1.880 |
R-factor | 0.1896 |
Rwork | 0.188 |
R-free | 0.21160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.881 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.620 | 1.930 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.050 | 0.794 |
Rmeas | 0.052 | 0.823 |
Rpim | 0.014 | 0.212 |
Total number of observations | 282139 | 17768 |
Number of reflections | 19563 | 1218 |
<I/σ(I)> | 27.9 | 3.9 |
Completeness [%] | 99.8 | |
Redundancy | 14.4 | 14.6 |
CC(1/2) | 1.000 | 0.871 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 292 | 22.5% (w/v) PEG 3350, 0.08 M Bis-Tris and 2% (v/v) Ethylene glycol |