2B20
Crystal Structure of Enterochelin Esterase from Shigella flexneri Enterochelin Esterase
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 | 2005-03-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 66.173, 66.173, 252.125 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.110 - 2.950 |
| R-factor | 0.22448 |
| Rwork | 0.222 |
| R-free | 0.27738 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.543 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.060 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.110 | 0.969 |
| Number of reflections | 12690 | |
| <I/σ(I)> | 8.4 | 2.9 |
| Completeness [%] | 99.8 | 99 |
| Redundancy | 20.6 | 16.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 277 | potassium/sodium tartrate, CHES, litium sulfate, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
