9AX2
Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 2-(1-methyl-3-oxo-5-(2-phenylpropoxy)isoindolin-2-yl)ethyl (3-(1H-imidazol-4-yl)benzyl)carbamate
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 | 2021-03-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.710, 63.406, 86.595 |
| Unit cell angles | 84.49, 85.33, 80.60 |
Refinement procedure
| Resolution | 48.570 - 1.940 |
| R-factor | 0.199 |
| Rwork | 0.198 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.649 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21rc1_5127) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.570 | 1.980 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.230 | |
| Rpim | 0.053 | 0.151 |
| Number of reflections | 62528 | 3078 |
| <I/σ(I)> | 13.5 | 5.9 |
| Completeness [%] | 87.1 | 85.2 |
| Redundancy | 3 | 2.3 |
| CC(1/2) | 0.980 | 0.921 |
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 |
