6X8P
Crystal structure of 3D11 Fab in complex with Plasmodium berghei circumsporozoite protein NPND peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-02-05 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.979329 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 59.859, 59.859, 235.005 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.690 - 2.270 |
R-factor | 0.1686 |
Rwork | 0.166 |
R-free | 0.22240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2eh7 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.859 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.370 |
High resolution limit [Å] | 2.270 | 2.270 |
Number of reflections | 23398 | 2556 |
<I/σ(I)> | 19 | |
Completeness [%] | 99.3 | 94.4 |
Redundancy | 19.1 | |
CC(1/2) | 0.999 | 0.935 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293.15 | 25% (w/v) PEG 3350, 0.2 M lithium sulfate, 0.1 M Tris pH 8.5 |