4NBY
Crystal Structure of TcdA-A2 Bound to Two Molecules of A20.1 VHH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 80.390, 80.390, 410.720 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 2.080 |
| R-factor | 0.21171 |
| Rwork | 0.209 |
| R-free | 0.25465 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g7c |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.084 |
| 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 | 2.130 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.085 | 0.692 |
| Number of reflections | 48737 | |
| <I/σ(I)> | 23.4 | 5.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 14.1 | 14.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 1.1 M Ammonium sulfate, 0.1 M Tris-Cl, pH 7.5, 0.1 M TMAO, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
