9DST
Crystal structure of Fab MS-1805 in complex with N-terminal junction peptide from circumsporozoite protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-21 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92010 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.325, 76.744, 74.453 |
| Unit cell angles | 90.00, 88.38, 90.00 |
Refinement procedure
| Resolution | 26.720 - 1.740 |
| R-factor | 0.1983 |
| Rwork | 0.197 |
| R-free | 0.22780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.041 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.000 | 1.800 |
| High resolution limit [Å] | 1.740 | 1.750 |
| Rmerge | 0.069 | 0.478 |
| Rpim | 0.045 | 0.045 |
| Number of reflections | 45572 | 2226 |
| <I/σ(I)> | 21.4 | 1.89 |
| Completeness [%] | 93.1 | |
| Redundancy | 3.2 | |
| CC(1/2) | 0.995 | 0.838 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M sodium citrate, 20% (v/v) 2-propanol and 20% (w/v) polyethylene glycol 4000 |
