8S4K
Crystal structure of Fab-2B1 in complex with rocuronium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-28 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979261 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 161.568, 40.517, 69.772 |
| Unit cell angles | 90.00, 100.40, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.600 |
| R-factor | 0.17907 |
| Rwork | 0.178 |
| R-free | 0.20551 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.756 |
| 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] | 68.630 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 59091 | 8520 |
| <I/σ(I)> | 7.9 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.996 | 0.666 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 291 | 70% (v/v) MPD 0.1M HEPES pH7.5 |
