5IKX
Crystal structure of the alpha-esterase-7 carboxyl esterase (dimer), E3, from Lucilia cuprina
Replaces: 4FG5Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.82655 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.767, 108.956, 92.172 |
| Unit cell angles | 90.00, 90.36, 90.00 |
Refinement procedure
| Resolution | 47.060 - 2.190 |
| R-factor | 0.173 |
| Rwork | 0.171 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fng |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.155 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.900 | 2.310 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.093 | 0.439 |
| Number of reflections | 62125 | |
| <I/σ(I)> | 12.7 | |
| Completeness [%] | 97.9 | |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 100 mM MES, 20% PEG 2K MME |
