4NBX
Crystal Structure of Clostridium difficile Toxin A fragment TcdA-A1 Bound to 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 | 2010-03-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 65 |
| Unit cell lengths | 96.970, 96.970, 61.120 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.740 - 1.750 |
| R-factor | 0.19708 |
| Rwork | 0.195 |
| R-free | 0.22870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.969 |
| 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 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.029 | 0.154 |
| Number of reflections | 30256 | |
| <I/σ(I)> | 30.9 | 8.9 |
| Completeness [%] | 96.1 | 87.7 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.6 M K/Na Tartrate, 0.1 M Tris-Cl, pH 7.5, 0.4 M TMAO, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
