6TSB
Crystal structure of the Chitinase Domain of the Spore Coat Protein CotE from Clostridium difficile
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-01-14 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 82.076, 82.076, 325.883 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 54.373 - 2.100 |
Rwork | 0.216 |
R-free | 0.26740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6t9m |
RMSD bond length | 0.009 |
RMSD bond angle | 1.640 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.410 | 2.170 |
High resolution limit [Å] | 2.170 | 2.170 |
Number of reflections | 35657 | 2551 |
<I/σ(I)> | 9.5 | |
Completeness [%] | 100.0 | |
Redundancy | 18.3 | |
CC(1/2) | 1.000 | 0.640 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | Reservoir, 1 ml 0.1 M sodium malonate pH 5.5, 13% PEG 3,350 and 3 microlitres of pentaethylene glycol monooctyl ether (C8E5) Drops contained 2 microlitres of protein at 20 mg/ml in 50 mM Tris-HCl, pH 7.5, 500 mM NaCl, 10 mM imidazole, a 3 microlitres of reservoir solution. |