8DA1
Crystal structure of Krait 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 | C 1 2 1 |
Unit cell lengths | 148.326, 63.862, 77.437 |
Unit cell angles | 90.00, 101.57, 90.00 |
Refinement procedure
Resolution | 29.510 - 2.670 |
R-factor | 0.1876 |
Rwork | 0.185 |
R-free | 0.24140 |
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 | 2.800 |
High resolution limit [Å] | 2.670 | 5.800 | 2.700 |
Rmerge | 0.248 | 0.157 | 1.601 |
Rmeas | 0.270 | 0.172 | 1.817 |
Rpim | 0.103 | 0.069 | 0.839 |
Number of reflections | 19031 | 1955 | 1846 |
<I/σ(I)> | 7.4 | ||
Completeness [%] | 98.7 | 98.2 | 97.3 |
Redundancy | 6.7 | 6.8 | 4.2 |
CC(1/2) | 0.969 | 0.306 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 40% PEG 400, 5% PEG 3350, 0.1M sodium acetate pH 5.5 |