7TPS
Crystal structure of ALPN-202 (engineered CD80 vIgD) in complex with PD-L1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-02-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.928, 122.152, 152.675 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.340 - 3.150 |
R-factor | 0.2496 |
Rwork | 0.247 |
R-free | 0.29090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dr9 5jdr |
RMSD bond length | 0.008 |
RMSD bond angle | 1.060 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.8 (11-DEC-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 95.380 | 3.370 |
High resolution limit [Å] | 3.150 | 3.150 |
Rmerge | 1.722 | |
Number of reflections | 19918 | 107751 |
<I/σ(I)> | 0.9 | |
Completeness [%] | 99.3 | |
Redundancy | 5.4 | |
CC(1/2) | 0.996 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.03 M sodium nitrate, 0.03 M sodium phosphate dibasic, 0.03 M ammonium sulfate, 0.1 M sodium HEPES/MOPS (acid), pH 7.5, 20% v/v glycerol, 10% w/v PEG 4000 |