6R3K
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor
Replaces: 5NIXExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.91842 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.527, 84.609, 164.116 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.939 - 2.200 |
R-factor | 0.2167 |
Rwork | 0.214 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5c3t |
RMSD bond length | 0.022 |
RMSD bond angle | 1.852 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.15rc3_3435: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.990 | 2.279 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.050 | 0.240 |
Number of reflections | 29563 | 2926 |
<I/σ(I)> | 20 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.3 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.01 M Tris pH 8.4 containing 0.28 M sodium chloride and 27% (w/v) PEG 4000 |