9BJA
C. difficile Tcdb cysteine protease domain in complex with IP6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-06-07 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.95371 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.051, 89.171, 67.597 |
Unit cell angles | 90.00, 103.78, 90.00 |
Refinement procedure
Resolution | 52.870 - 2.100 |
R-factor | 0.2296 |
Rwork | 0.228 |
R-free | 0.25740 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.209 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.170 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.106 | 0.545 |
Rpim | 0.048 | |
Number of reflections | 29657 | 2423 |
<I/σ(I)> | 9.3 | 3.1 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.7 | 7.1 |
CC(1/2) | 0.996 | 0.911 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 295 | 0.1 M Tris HCl, pH 8.2, 36% (w/v) PEG2000 monomethyl ether |