4NC1
Crystal Structure of TcdA-A2 Bound to A20.1 VHH and A26.8 VHH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-05 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 103.020, 122.290, 247.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.610 |
| R-factor | 0.2049 |
| Rwork | 0.202 |
| R-free | 0.25240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g7c |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.148 |
| 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 | 2.680 |
| High resolution limit [Å] | 2.610 | 2.610 |
| Rmerge | 0.054 | 0.719 |
| Number of reflections | 47857 | |
| <I/σ(I)> | 24.5 | 2.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.3 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 295 | 20% (w/v) PEG 4000, 0.1 M Citric acid, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
