9AWY
Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 3-(2-(4-(3-ethyl-3-phenylpyrrolidin-1-yl)-6-methyl-2-oxopyridin-1(2H)-yl)ethyl)-8-(imidazo[1,5-a]pyrazin-8-yl)-1,3,8-triazaspiro[4.5]decan-2-one
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-08-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.815, 63.593, 87.432 |
| Unit cell angles | 84.37, 85.39, 80.08 |
Refinement procedure
| Resolution | 48.730 - 1.700 |
| R-factor | 0.2202 |
| Rwork | 0.218 |
| R-free | 0.26070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.780 |
| 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] | 48.730 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.081 | 0.417 |
| Rmeas | 0.107 | 0.547 |
| Rpim | 0.069 | 0.350 |
| Number of reflections | 101565 | 4601 |
| <I/σ(I)> | 9.81 | 1.45 |
| Completeness [%] | 95.0 | 85.9 |
| Redundancy | 2.1 | 1.8 |
| CC(1/2) | 0.988 | 0.582 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% PEG3350, 0.2 M potassium phosphate monobasic |
