7VCN
Crystal Structure of PitA fragment from pilus islet-2 of Streptococcus oralis with Tb-Xo4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.42379 |
| Spacegroup name | P 1 |
| Unit cell lengths | 61.815, 70.288, 82.710 |
| Unit cell angles | 79.88, 86.89, 87.19 |
Refinement procedure
| Resolution | 69.139 - 2.343 |
| Rwork | 0.194 |
| R-free | 0.23960 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.820 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | CRANK2 |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.235 | 2.608 |
| High resolution limit [Å] | 2.343 | 2.343 |
| Rmerge | 0.065 | 0.552 |
| Rpim | 0.030 | 0.252 |
| Number of reflections | 38153 | 1909 |
| <I/σ(I)> | 15.7 | |
| Completeness [%] | 82.6 | |
| Redundancy | 5.6 | |
| CC(1/2) | 0.998 | 0.881 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 295 | 0.2 M ammonium acetate 0.1 M HEPES pH 7.2, 20% PEG 3350 |
