6HNJ
The ligand-bound, open structure of CD0873, a substrate binding protein with adhesive properties from Clostridium difficile.
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 | 2018-03-04 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.963, 57.534, 148.526 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.260 - 1.800 |
R-factor | 0.20593 |
Rwork | 0.204 |
R-free | 0.23898 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.557 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.260 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.237 | 1.483 |
Rmeas | 0.250 | 1.561 |
Rpim | 0.077 | 0.483 |
Number of reflections | 31122 | 1758 |
<I/σ(I)> | 7 | 1.8 |
Completeness [%] | 99.9 | 98.3 |
Redundancy | 19.8 | 20 |
CC(1/2) | 0.993 | 0.721 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M MES pH 6.5, with 2% each of PEG 400, 500 MME, 600, 1000, 2000, 3350, 4000, 5000 MME, 6000, 8000 and 10,000 |