3CVZ
Structural insights into the molecular organization of the S-layer from Clostridium difficile
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX10.1 |
Synchrotron site | SRS |
Beamline | PX10.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-03 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.117 |
Spacegroup name | P 64 |
Unit cell lengths | 107.059, 107.059, 190.617 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.358 - 2.400 |
R-factor | 0.2328 |
Rwork | 0.231 |
R-free | 0.29400 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.230 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 50.000 | 2.210 |
High resolution limit [Å] | 2.130 | 4.590 | 2.130 |
Rmerge | 0.087 | 0.045 | |
Number of reflections | 68870 | ||
<I/σ(I)> | 9.4 | ||
Completeness [%] | 99.8 | 99.7 | 99.7 |
Redundancy | 17.8 | 19.3 | 10.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 291 | 25% PEG 1500, 0.1M SPG buffer, pH 4.0, vapor diffusion, sitting drop, temperature 291K |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 291 | 25% PEG 1500, 0.1M SPG buffer, pH 4.0, vapor diffusion, sitting drop, temperature 291K |