4NC2
Crystal structure of TcdB-B1 bound to B39 VHH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-07 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.98 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 101.300, 101.300, 59.470 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
R-factor | 0.19424 |
Rwork | 0.192 |
R-free | 0.22908 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2g7c |
RMSD bond length | 0.007 |
RMSD bond angle | 1.154 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.058 | 0.784 |
Number of reflections | 12441 | |
<I/σ(I)> | 18 | 1.9 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 4.7 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 295 | 0.86 M Sodium citrate, pH 6.7, 0.6 M TMAO, VAPOR DIFFUSION, HANGING DROP, temperature 295K |