8S4H
Crystal structure of scFv-1B6 in complex with rocuronium bromide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-12 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.980112 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 135.467, 165.337, 127.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.010 - 1.700 |
| R-factor | 0.16669 |
| Rwork | 0.166 |
| R-free | 0.18783 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.990 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 127.520 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.079 | 1.707 |
| Rmeas | 0.084 | 1.808 |
| Rpim | 0.027 | 0.594 |
| Total number of observations | 1501870 | 70880 |
| Number of reflections | 156312 | 7680 |
| <I/σ(I)> | 16.4 | 1.4 |
| Completeness [%] | 100.0 | |
| Redundancy | 9.6 | 9.2 |
| CC(1/2) | 0.999 | 0.567 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 30%(v/v) PEG400 0.1M MES pH6.5 0.1 M Na Acetate |
