9AWX
Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 1-(1-(imidazo[1,5-a]pyrazin-8-yl)azetidin-3-yl)-3-(2-(6-methyl-4-(3-methyl-3-phenylpyrrolidin-1-yl)-2-oxopyridin-1(2H)-yl)ethyl)urea
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 | 46.415, 63.235, 86.721 |
| Unit cell angles | 84.35, 86.00, 80.65 |
Refinement procedure
| Resolution | 48.420 - 1.810 |
| R-factor | 0.1953 |
| Rwork | 0.194 |
| R-free | 0.22410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.792 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21rc1_5127) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.420 | 1.830 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.079 | 0.465 |
| Rmeas | 0.103 | 0.609 |
| Rpim | 0.065 | 0.390 |
| Number of reflections | 85151 | 3540 |
| <I/σ(I)> | 10 | 1.44 |
| Completeness [%] | 94.6 | 79.5 |
| Redundancy | 2.1 | 1.7 |
| CC(1/2) | 0.992 | 0.166 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% PEG3350, 0.2 M potassium phosphate monobasic |
