6WFW
Crystal structure of Fab364 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 | 2019-10-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 80.440, 117.045, 116.912 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.845 - 2.093 |
| R-factor | 0.2154 |
| Rwork | 0.213 |
| R-free | 0.25660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Homology model |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.664 |
| 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 | 2.140 |
| High resolution limit [Å] | 2.093 | 2.100 |
| Rpim | 0.048 | 0.313 |
| Number of reflections | 28464 | 556 |
| <I/σ(I)> | 13.3 | 2 |
| Completeness [%] | 86.3 | 34.8 |
| Redundancy | 5.3 | 1.8 |
| CC(1/2) | 0.934 | 0.738 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 20% PEG8000, 0.05 M potassium phosphate dibasic |
