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 |