9MUI
C. difficile RBD1 with Ca2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95369 |
| Spacegroup name | H 3 |
| Unit cell lengths | 119.697, 119.697, 125.091 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.910 - 2.290 |
| R-factor | 0.2004 |
| Rwork | 0.199 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.993 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.910 | 2.360 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.259 | |
| Rmeas | 0.279 | |
| Rpim | 0.102 | 1.017 |
| Number of reflections | 29127 | 2070 |
| <I/σ(I)> | 4.4 | |
| Completeness [%] | 95.9 | 69.2 |
| Redundancy | 7.2 | 5.3 |
| CC(1/2) | 0.983 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 30% (w/v) PEG 5000 MME, 100 mM MES/ Sodium hydroxide, 200 mM Ammonium sulfate |
