6O2C
Crystal structure of 4493 Fab in complex with circumsporozoite protein NANP3 and anti-kappa VHH domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979329 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.978, 68.111, 84.635 |
| Unit cell angles | 90.00, 102.42, 90.00 |
Refinement procedure
| Resolution | 29.093 - 2.017 |
| R-factor | 0.1629 |
| Rwork | 0.162 |
| R-free | 0.19510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | In house model |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.050 |
| High resolution limit [Å] | 2.017 | 2.020 |
| Rmerge | 0.116 | 0.582 |
| Rpim | 0.048 | 0.242 |
| Number of reflections | 46495 | 1934 |
| <I/σ(I)> | 9.7 | 2.1 |
| Completeness [%] | 99.0 | 87.4 |
| Redundancy | 6.7 | 6.4 |
| CC(1/2) | 0.741 | 0.741 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 40 % (w/v) PEG600, 0.1 M sodium citrate pH 5.5 |
