5LR0
Binding domain of Botulinum Neurotoxin DC in complex with SialylT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-11-03 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.98405 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 109.699, 109.699, 210.461 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.640 - 2.590 |
R-factor | 0.2086 |
Rwork | 0.207 |
R-free | 0.23090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4isq |
RMSD bond length | 0.006 |
RMSD bond angle | 1.175 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.640 | 48.640 | 2.690 |
High resolution limit [Å] | 2.590 | 9.320 | 2.590 |
Rmerge | 0.239 | 0.053 | 1.437 |
Number of reflections | 40710 | ||
<I/σ(I)> | 13.2 | ||
Completeness [%] | 99.2 | 99.4 | 92.6 |
Redundancy | 14.5 | 13.5 | 13.1 |
CC(1/2) | 0.996 | 0.998 | 0.789 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2 M Ammonium Nitrate, 20% PEG 3350 |