3SBW
Crystal structure of the complex between the extracellular domains of mouse PD-1 mutant and human PD-L1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-08-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.071 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.778, 62.843, 160.863 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.420 - 2.280 |
R-factor | 0.221 |
Rwork | 0.218 |
R-free | 0.27040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1npu |
RMSD bond length | 0.013 |
RMSD bond angle | 1.421 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
High resolution limit [Å] | 2.280 | 4.950 | 2.280 |
Rmerge | 0.093 | 0.037 | 0.729 |
Number of reflections | 26816 | ||
<I/σ(I)> | 7.6 | ||
Completeness [%] | 99.9 | 99.2 | 100 |
Redundancy | 6.1 | 5.7 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 277 | 0.1M Sodium citrate pH 5, 20% PEG 8000, Vapor diffusion, Sitting drop, temperature 277K |