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 |
