8FB5
Crystal structure of Ky15.11-S100IK Fab in complex with circumsporozoite protein KQPA peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-17 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 95.392, 60.485, 184.907 |
| Unit cell angles | 90.00, 98.38, 90.00 |
Refinement procedure
| Resolution | 39.650 - 2.900 |
| R-factor | 0.2495 |
| Rwork | 0.248 |
| R-free | 0.27430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.531 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Number of reflections | 46810 | 2271 |
| <I/σ(I)> | 5.2 | |
| Completeness [%] | 99.7 | |
| Redundancy | 3.8 | |
| CC(1/2) | 0.968 | 0.433 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 2 M ammonium sulfate, 0.1 M HEPES |
