2F6E
Clostridium difficile Toxin A C-terminal fragment 1 (TcdA-f1)
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-09-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.979571,0.979741,1.019867 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 42.050, 42.050, 132.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.160 - 1.850 |
R-factor | 0.16191 |
Rwork | 0.160 |
R-free | 0.20500 |
Structure solution method | MAD |
RMSD bond length | 0.007 |
RMSD bond angle | 0.996 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.160 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.057 | 0.187 |
Number of reflections | 10716 | |
<I/σ(I)> | 21.4 | 7.4 |
Completeness [%] | 99.3 | 95.7 |
Redundancy | 6.4 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295 | 250 mM ammonium tartrate, 100 mM sodium acetate, 20% glycerol, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |