6T8S
Structure of the major Type IV pilin PilA1 from Clostridium difficile
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-09-26 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 102.570, 102.570, 104.336 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 73.250 - 1.650 |
| R-factor | 0.1952 |
| Rwork | 0.194 |
| R-free | 0.21410 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.301 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | Arcimboldo |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 73.250 | 73.140 | 1.680 |
| High resolution limit [Å] | 1.650 | 8.890 | 1.650 |
| Rmerge | 0.135 | 0.047 | 3.684 |
| Rmeas | 0.140 | 0.049 | 3.862 |
| Rpim | 0.037 | 0.013 | 1.142 |
| Total number of observations | 7121 | 39779 | |
| Number of reflections | 67404 | 533 | 3396 |
| <I/σ(I)> | 12 | 41.1 | 0.6 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 14.3 | 13.4 | 11.7 |
| CC(1/2) | 0.999 | 0.999 | 0.390 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.6 M Sodium Citrate |
