9ERY
Co-crystal strucutre of PD-L1 with low molecular weight inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-19 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.03321 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 74.534, 74.534, 95.392 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.360 - 2.700 |
Rwork | 0.222 |
R-free | 0.27550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.811 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.700 | 2.830 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.087 | 3.835 |
Rmeas | 0.092 | 4.028 |
Rpim | 0.028 | 1.226 |
Number of reflections | 8822 | 1145 |
<I/σ(I)> | 17.3 | |
Completeness [%] | 100.0 | |
Redundancy | 19.3 | 20.4 |
CC(1/2) | 0.999 | 0.342 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.0 M Ammonium sulfate and 0.1 M Sodium cacodylate pH 6.5 |