8BGM
Crystal structure of the OrfX1-OrfX3 complex from the PMP1 neurotoxin gene cluster
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 93.018, 126.573, 154.218 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.367 - 2.700 |
Rwork | 0.222 |
R-free | 0.26290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Alphafold model |
RMSD bond length | 0.010 |
RMSD bond angle | 1.602 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 77.100 | 2.790 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.140 | 1.560 |
Rmeas | 0.160 | |
Rpim | 0.060 | |
Number of reflections | 50841 | 4574 |
<I/σ(I)> | 8.5 | 1.2 |
Completeness [%] | 99.9 | 99.1 |
Redundancy | 10 | 6.1 |
CC(1/2) | 0.990 | 0.742 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M sodium citrate tribasic dihydrate, 0.1 M Bis-Tris propane pH 6.5, 20% w/v PEG 3350 |