6XKR
Structure of Sasanlimab Fab in complex with PD-1
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 | 2017-11-20 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 41.453, 90.622, 176.322 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.311 - 2.590 |
R-factor | 0.221 |
Rwork | 0.218 |
R-free | 0.27080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5b8c |
RMSD bond length | 0.002 |
RMSD bond angle | 0.478 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.320 | 49.310 | 2.710 |
High resolution limit [Å] | 2.590 | 8.970 | 2.590 |
Rmerge | 0.423 | 0.058 | 3.462 |
Rmeas | 0.440 | 0.061 | 3.604 |
Rpim | 0.121 | 0.018 | 0.996 |
Total number of observations | 6647 | 32632 | |
Number of reflections | 21538 | 615 | 2534 |
<I/σ(I)> | 7.2 | 31.7 | 0.8 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 12.8 | 10.8 | 12.9 |
CC(1/2) | 0.986 | 0.999 | 0.413 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 298 | 0.5M LiCl, 0.1M Citric Acid, pH 4, 22% w/v PEG 6000, 0.5% w/v ODG |