4EPF
The crystal structure of pesticin from Yersinia pestis
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97925, 0.97939, 0.97172 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.498, 86.900, 122.226 |
| Unit cell angles | 90.00, 96.20, 90.00 |
Refinement procedure
| Resolution | 36.760 - 2.090 |
| R-factor | 0.20792 |
| Rwork | 0.206 |
| R-free | 0.24680 |
| Structure solution method | MAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.227 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.000 | 2.150 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Number of reflections | 41037 | |
| <I/σ(I)> | 20.5 | 2.7 |
| Completeness [%] | 97.6 | 91.5 |
| Redundancy | 3.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 20% w/v PEG3350, 0.25 M calcium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
