3C87
Crystal structure of the enterobactin esterase FES from Shigella flexneri in the presence of enterobactin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-31 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.305, 113.245, 151.123 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.030 - 2.170 |
| R-factor | 0.192 |
| Rwork | 0.190 |
| R-free | 0.23400 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.624 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.030 | 2.250 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Number of reflections | 43586 | |
| <I/σ(I)> | 8.5 | 3.25 |
| Completeness [%] | 99.6 | 96.7 |
| Redundancy | 11.1 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 291 | 20 % PEG 8000, 0.1 M Phosphate-citrate pH 4.2, 0.2 M NaCl, 5 mM Enterobactin, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
