6X8U
Crystal structure of 3D11 Fab in complex with Plasmodium berghei circumsporozoite protein Mixed peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033167 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 60.294, 60.294, 233.719 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.190 - 1.550 |
R-factor | 0.1646 |
Rwork | 0.164 |
R-free | 0.18040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | internal |
RMSD bond length | 0.011 |
RMSD bond angle | 1.217 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.650 |
High resolution limit [Å] | 1.550 | 1.550 |
Number of reflections | 72981 | 12222 |
<I/σ(I)> | 19.6 | |
Completeness [%] | 100.0 | |
Redundancy | 19.5 | |
CC(1/2) | 0.999 | 0.843 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 25.5% (w/v) PEG 4000, 15% (v/v) glycerol, 0.17 M ammonium acetate, 0.085 M sodium citrate pH 5.6 |