6W00
Crystal structure of Fab239 in complex with NPNA2 peptide from circumsporozoite protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03321 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 121.517, 121.517, 82.611 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.946 - 1.853 |
| R-factor | 0.1882 |
| Rwork | 0.187 |
| R-free | 0.20560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Homology model |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.871 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rpim | 0.303 | |
| Number of reflections | 52998 | 2623 |
| <I/σ(I)> | 18.6 | 1.9 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.3 | |
| CC(1/2) | 0.951 | 0.725 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2 M sodium chloride, 20% w/v PEG3350 |
