8DFH
Crystal structure of non-neutralizing / interfering human monoclonal antibody 42C3 Fab in complex with MSP1-19
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-06 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.390, 75.720, 117.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.830 - 2.300 |
R-factor | 0.2105 |
Rwork | 0.209 |
R-free | 0.23290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entries 1OB1 & 6UMX |
RMSD bond length | 0.002 |
RMSD bond angle | 0.567 |
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] | 19.830 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 28468 | 1994 |
<I/σ(I)> | 10.99 | |
Completeness [%] | 96.5 | 93.4 |
Redundancy | 3.68 | |
CC(1/2) | 0.996 | 0.996 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 0.1 M Sodium Cacodylate, pH 6.5, 5 % (v/v) PEG 8000, 40% (v/v) 2-Methyl-2,4-Pentanediol |