8TGT
Structure of human C4b-binding protein alpha chain CCP domains 1 and 2 in complex with the hypervariable region of group A Streptococcus M68 protein
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-11-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9789, 0.918, 0.9793 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 107.037, 49.664, 80.403 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.630 - 2.500 |
R-factor | 0.3158 |
Rwork | 0.313 |
R-free | 0.34410 |
Structure solution method | MAD |
RMSD bond length | 0.002 |
RMSD bond angle | 0.342 |
Data reduction software | XDS |
Data scaling software | pointless |
Phasing software | AutoSol |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.300 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.275 | 3.524 |
Rmeas | 0.286 | 3.666 |
Number of reflections | 15422 | 1715 |
<I/σ(I)> | 8.7 | 0.8 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 13.1 | 13.2 |
CC(1/2) | 0.997 | 0.650 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M MES pH 6.0, 14% PEG 3350, 10% ethylene glycol, 0.2 M calcium chloride, 1 mM DTT |