4F8N
X-ray structure of PsaA from Yersinia pestis, in complex with galactose and phosphate choline
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) | 0.9 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 26.154, 54.922, 103.271 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.461 - 2.501 |
| R-factor | 0.2467 |
| Rwork | 0.245 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 6.370 | 2.350 |
| Rmerge | 0.122 | 0.044 | 0.406 |
| Number of reflections | 6381 | ||
| <I/σ(I)> | 7.4 | ||
| Completeness [%] | 95.6 | 98.2 | 97.9 |
| Redundancy | 5.7 | 6.7 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 298 | ammonium sulphate, Guanidine HCl, pH 4.2, vapor diffusion, hanging drop, temperature 298K |
