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 |