4F8P
X-ray structure of PsaA from Yersinia pestis, in complex with galactose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 65 |
| Unit cell lengths | 59.266, 59.266, 200.088 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 - 2.050 |
| R-factor | 0.2453 |
| Rwork | 0.243 |
| R-free | 0.27870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.724 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
| High resolution limit [Å] | 2.050 | 4.460 | 2.070 |
| Rmerge | 0.090 | 0.055 | 0.562 |
| Number of reflections | 22657 | ||
| <I/σ(I)> | 14.8 | ||
| Completeness [%] | 91.7 | 97.6 | 72.8 |
| Redundancy | 4.7 | 8.6 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 1.4 M Sodium Formate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
