7T31
X-ray Structure of Clostridiodies difficile PilW
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 1 |
| Unit cell lengths | 65.244, 81.754, 102.797 |
| Unit cell angles | 92.31, 91.05, 113.37 |
Refinement procedure
| Resolution | 39.700 - 2.300 |
| R-factor | 0.1985 |
| Rwork | 0.196 |
| R-free | 0.24530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | MBP PilA1 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.539 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.0) |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.950 | 74.950 | 2.120 |
| High resolution limit [Å] | 2.010 | 6.350 | 2.010 |
| Rmerge | 0.074 | 0.031 | 1.106 |
| Rmeas | 0.104 | 0.044 | 1.563 |
| Rpim | 0.074 | 0.031 | 1.105 |
| Total number of observations | 216621 | 6825 | 33001 |
| Number of reflections | 121248 | 3868 | 18085 |
| <I/σ(I)> | 3.1 | 8.7 | 0.5 |
| Completeness [%] | 93.1 | 94 | 95.1 |
| Redundancy | 1.8 | 1.8 | 1.8 |
| CC(1/2) | 0.995 | 0.995 | 0.395 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 280 | 0.1M Hepes pH 7.5, 25% Peg 3350, 0.0375M NaCl, 0.2M CsCl2, 2% ethanol |
