7XYQ
Crystal strucutre of PD-L1 and the computationally designed DBL1_03 protein binder
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 | 2019-01-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97889 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 97.930, 97.930, 106.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.970 - 2.850 |
R-factor | 0.3006 |
Rwork | 0.300 |
R-free | 0.31820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.254 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.970 | 2.950 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.141 | 3.126 |
Number of reflections | 12591 | 1241 |
<I/σ(I)> | 20.7 | 1.1 |
Completeness [%] | 99.9 | 100 |
Redundancy | 25.4 | 26.9 |
CC(1/2) | 0.998 | 0.554 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 291 | 0.02 M nickel (II) chloride hexahydrate, 0.02 M magnesium chloride hexahydrate, 0.02 M cadmium chloride hydrate, 0.1 M sodium acetate trihydrate, pH4.5, 24% w/v polyethylene glycol monomethylether 2000 |