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 |