3PEE
Structure of the C. difficile TcdB cysteine protease domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 128.110, 45.710, 87.350 |
Unit cell angles | 90.00, 103.48, 90.00 |
Refinement procedure
Resolution | 39.657 - 2.100 |
R-factor | 0.1941 |
Rwork | 0.192 |
R-free | 0.24030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ho6 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.308 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.220 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.073 | 0.490 |
Number of reflections | 28295 | |
<I/σ(I)> | 8.4 | 1.8 |
Completeness [%] | 97.6 | 91.8 |
Redundancy | 3.2 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1M Tris HCl pH 8.0, 30% PEG2000MME, VAPOR DIFFUSION, SITTING DROP, temperature 293K |