7LKB
Crystal structure of PfCSP peptide 21 with vaccine-elicited human anti-malaria antibody m42.127
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-08-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 54.888, 58.182, 75.198 |
| Unit cell angles | 87.46, 77.52, 72.04 |
Refinement procedure
| Resolution | 36.700 - 1.800 |
| R-factor | 0.1832 |
| Rwork | 0.181 |
| R-free | 0.21720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6b5m |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.906 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_3936) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
| Rmerge | 0.041 | 0.020 | 0.311 |
| Rmeas | 0.055 | 0.026 | 0.422 |
| Rpim | 0.037 | 0.017 | 0.283 |
| Total number of observations | 146677 | ||
| Number of reflections | 70885 | 3579 | 3605 |
| <I/σ(I)> | 12.2 | ||
| Completeness [%] | 89.3 | 90.3 | 90.3 |
| Redundancy | 2.1 | 2.1 | 2.1 |
| CC(1/2) | 0.998 | 0.843 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Sodium acetate trihydrate pH 4.5, and 30% w/v polyethylene glycol 1500 |
