9AX3
Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 4-(3-ethyl-3-phenylpyrrolidin-1-yl)-1,6-dimethylpyridin-2(1H)-one
This is a non-PDB format compatible entry.
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 | 2021-11-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.967, 63.708, 86.261 |
| Unit cell angles | 84.41, 86.91, 80.63 |
Refinement procedure
| Resolution | 48.530 - 2.200 |
| R-factor | 0.2344 |
| Rwork | 0.232 |
| R-free | 0.28420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.559 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21rc1_5127) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.530 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.068 | 0.736 |
| Rmeas | 0.079 | 0.864 |
| Rpim | 0.041 | 0.449 |
| Number of reflections | 44680 | 3400 |
| <I/σ(I)> | 10.2 | 2 |
| Completeness [%] | 91.4 | 80.2 |
| Redundancy | 3.7 | 3.6 |
| CC(1/2) | 0.998 | 0.793 |
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 |
