8FO4
Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 6-methyl-2-(2-((1E,2E)-3-(2-nitrophenyl)allylidene)hydrazineyl)pyrimidin-4-ol
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 | 2021-04-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.495, 63.190, 86.978 |
| Unit cell angles | 84.76, 87.70, 81.18 |
Refinement procedure
| Resolution | 48.620 - 2.000 |
| R-factor | 0.18814 |
| Rwork | 0.186 |
| R-free | 0.23755 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m6a |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.576 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.580 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rpim | 0.055 | 0.341 |
| Number of reflections | 61668 | 8686 |
| <I/σ(I)> | 8.8 | 2.4 |
| Completeness [%] | 95.9 | 92.4 |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 1.000 | 0.790 |
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 |
