8JIB
Crystal Structure of Prophenoloxidase PPO6 from Aedes aegypti
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X17B1 |
Synchrotron site | NSLS |
Beamline | X17B1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-11-19 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.920 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 121.041, 364.149, 125.522 |
Unit cell angles | 90.00, 118.95, 90.00 |
Refinement procedure
Resolution | 48.660 - 3.150 |
R-factor | 0.27134 |
Rwork | 0.269 |
R-free | 0.31041 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.286 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MR-Rosetta |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.660 | 3.320 |
High resolution limit [Å] | 3.150 | 3.150 |
Rmerge | 0.241 | 0.910 |
Rmeas | 0.278 | |
Rpim | 0.135 | 0.499 |
Number of reflections | 161746 | 23632 |
<I/σ(I)> | 5 | 1.5 |
Completeness [%] | 98.8 | 98.8 |
Redundancy | 3.8 | 3.7 |
CC(1/2) | 0.967 | 0.429 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291.15 | 0.2 M MgCl2,0.1 M Sodium Cacodylate pH6.5,10%-15% v/v PEG 1000 |