5LN4
Crystal structure of self-complemented PsaA, the major subunit of pH 6 antigen from Yersinia pests, in complex with choline
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 | 2012-12-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 164.542, 44.625, 99.441 |
| Unit cell angles | 90.00, 120.36, 90.00 |
Refinement procedure
| Resolution | 49.397 - 2.360 |
| R-factor | 0.2314 |
| Rwork | 0.229 |
| R-free | 0.26850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lnd |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.256 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.400 | 49.397 | 2.440 |
| High resolution limit [Å] | 2.360 | 9.140 | 2.360 |
| Rmerge | 0.026 | 0.630 | |
| Number of reflections | 25917 | ||
| <I/σ(I)> | 11.2 | 22.8 | 1.2 |
| Completeness [%] | 99.5 | 98.1 | 99.6 |
| Redundancy | 3.5 | 3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 294 | 0.1 M imidazole, 0.2 M zinc acetate and 18% PEG3350 |
