3LE7
Crystal structure of PD-L1 from P. dioica in complex with adenine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-28 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 149.323, 32.159, 112.295 |
Unit cell angles | 90.00, 128.29, 90.00 |
Refinement procedure
Resolution | 9.970 - 1.650 |
R-factor | 0.214 |
Rwork | 0.213 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h5k |
RMSD bond length | 0.037 |
RMSD bond angle | 2.604 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | Il (Milione) |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.690 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.090 | 0.070 |
Number of reflections | 56763 | |
<I/σ(I)> | 6.7 | 2 |
Completeness [%] | 92.8 | 85.3 |
Redundancy | 4.2 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.16M sodium acetate trihydrate, 0.1M sodium cacodylate, 24% PEG8000, 3mM Adenine, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |