7W6B
Crystal Structure of PitA from pilus islet-2 of Streptococcus oralis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.7712 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 52.271, 422.928, 48.391 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.930 - 2.984 |
| Rwork | 0.253 |
| R-free | 0.30520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7vcr |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.558 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.930 | 3.068 |
| High resolution limit [Å] | 2.984 | 2.984 |
| Rpim | 0.072 | 0.479 |
| Number of reflections | 20771 | 1039 |
| <I/σ(I)> | 10.6 | 1.4 |
| Completeness [%] | 95.0 | |
| Redundancy | 7 | |
| CC(1/2) | 0.991 | 0.577 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 295 | 100 mM HEPES pH 7.8, 1 M potassium iodide, 25% PEG 3350 |
