8D9Z
Crystal structure of Cobra alpha-neurotoxin in complex with Centi-3FTX-D09 antibody
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 61.285, 61.285, 260.046 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.840 - 1.800 |
| R-factor | 0.1653 |
| Rwork | 0.165 |
| R-free | 0.19810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Model found by BALBES software using input sequence |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.665 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
| Rmerge | 0.118 | 0.058 | 1.052 |
| Rmeas | 0.125 | 0.062 | 1.126 |
| Rpim | 0.042 | 0.022 | 0.398 |
| Total number of observations | 468793 | ||
| Number of reflections | 53294 | 5557 | 5230 |
| <I/σ(I)> | 4.8 | ||
| Completeness [%] | 98.8 | 95.9 | 99 |
| Redundancy | 8.8 | 7.9 | 7.6 |
| CC(1/2) | 0.997 | 0.708 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 200mM ammonium sulfate, 100mM sodium acetate pH 4.6, 19% PEG 4000 |
