9AX1
Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 2-(6-methyl-2-oxo-4-(2-phenylpropoxy)pyridin-1(2H)-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-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-22 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.422, 63.050, 86.525 |
| Unit cell angles | 85.11, 86.37, 80.68 |
Refinement procedure
| Resolution | 48.610 - 2.000 |
| R-factor | 0.2113 |
| Rwork | 0.209 |
| R-free | 0.25750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.626 |
| 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] | 48.610 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.098 | 0.234 |
| Rmeas | 0.139 | 0.331 |
| Rpim | 0.098 | 0.234 |
| Number of reflections | 58369 | 4181 |
| <I/σ(I)> | 6.3 | 2.6 |
| Completeness [%] | 89.7 | |
| Redundancy | 1.8 | 1.7 |
| CC(1/2) | 0.976 | 0.851 |
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 |
