8U31
Crystal structure of PD-1 in complex with a Fab
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.069, 104.069, 143.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.130 - 2.730 |
R-factor | 0.2008 |
Rwork | 0.199 |
R-free | 0.23750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.939 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2-3874_final) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.130 | 2.830 |
High resolution limit [Å] | 2.730 | 2.730 |
Rmerge | 0.094 | 0.658 |
Number of reflections | 80752 | 8206 |
<I/σ(I)> | 12.05 | |
Completeness [%] | 88.7 | |
Redundancy | 5 | |
CC(1/2) | 0.995 | 0.794 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 1% w/v Tryptone, 0.001 M Sodium azide, 0.05 M HEPES sodium pH 7.0, 20% w/v PEG 3,350 |