8FO5
Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 1-(1-(phenylsulfonyl)-1H-pyrrol-3-yl)ethan-1-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-20 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.97741 |
Spacegroup name | P 1 |
Unit cell lengths | 46.674, 63.568, 87.242 |
Unit cell angles | 84.39, 85.51, 80.09 |
Refinement procedure
Resolution | 48.730 - 1.890 |
R-factor | 0.20367 |
Rwork | 0.201 |
R-free | 0.25028 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5m6a |
RMSD bond length | 0.009 |
RMSD bond angle | 1.582 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.690 | 2.000 |
High resolution limit [Å] | 1.890 | 1.890 |
Rpim | 0.047 | 0.275 |
Number of reflections | 74530 | 9836 |
<I/σ(I)> | 10.9 | 2.9 |
Completeness [%] | 95.6 | |
Redundancy | 3.5 | |
CC(1/2) | 1.000 | 0.850 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% PEG3350, 0.2 M potassium phosphate monobasic, 4 degrees C |