8D9Y
Crystal structure of Taipan 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 1 |
Unit cell lengths | 77.808, 87.228, 101.302 |
Unit cell angles | 109.29, 104.26, 106.48 |
Refinement procedure
Resolution | 29.540 - 2.200 |
R-factor | 0.2103 |
Rwork | 0.209 |
R-free | 0.26230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Model found by BALBES software using input sequence |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | BALBES |
Refinement software | PHENIX (1.20) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.280 |
High resolution limit [Å] | 2.200 | 4.730 | 2.200 |
Rmerge | 0.074 | 0.042 | 0.400 |
Rmeas | 0.099 | 0.056 | 0.531 |
Rpim | 0.065 | 0.037 | 0.346 |
Total number of observations | 200208 | ||
Number of reflections | 99175 | 10040 | 8675 |
<I/σ(I)> | 6.4 | ||
Completeness [%] | 86.8 | 87.7 | 76.1 |
Redundancy | 2 | 2 | 2 |
CC(1/2) | 0.990 | 0.762 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 100mM Sodium Acetate pH 5.5, 14% PEG8000, 2.65% PEG 400, 500mM NaCl |