6WFY
Crystal structure of Fab224 in complex with NPNA4 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 | 2019-03-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03324 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.921, 67.335, 84.768 |
| Unit cell angles | 90.00, 96.12, 90.00 |
Refinement procedure
| Resolution | 42.676 - 1.226 |
| R-factor | 0.1697 |
| Rwork | 0.169 |
| R-free | 0.18340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Homology model |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.846 |
| 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 | 1.250 |
| High resolution limit [Å] | 1.226 | 1.230 |
| Rpim | 0.034 | 0.353 |
| Number of reflections | 114397 | 855 |
| <I/σ(I)> | 19.1 | 1.4 |
| Completeness [%] | 81.7 | 12.4 |
| Redundancy | 2.9 | 1 |
| CC(1/2) | 0.893 | 0.674 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 20% PEG6000, 0.1 M HEPES, pH 7.0 |
