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 |