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 |