7T5F
Botulinum neurotoxin Type B Light Chain complexed with nanobodies JLJ-G3 and JNE-B10
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979180 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 149.320, 88.276, 114.481 |
Unit cell angles | 90.00, 97.03, 90.00 |
Refinement procedure
Resolution | 75.841 - 2.600 |
R-factor | 0.1955 |
Rwork | 0.194 |
R-free | 0.22190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | LcB |
RMSD bond length | 0.010 |
RMSD bond angle | 1.277 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.841 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 45137 | 4493 |
<I/σ(I)> | 8.2 | |
Completeness [%] | 99.2 | |
Redundancy | 2.3 | |
CC(1/2) | 0.990 | 0.680 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291 | 0.2 M KI, 0.1 M MES pH 6.5, 25 % PEG 4000 |