5IVI
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: phosphorylated enzyme qFit multi-conformer model
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.8266 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 51.816, 101.254, 225.818 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.000 - 1.530 |
R-factor | 0.1995 |
Rwork | 0.198 |
R-free | 0.23590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fng |
RMSD bond length | 0.007 |
RMSD bond angle | 1.038 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.000 | 1.560 |
High resolution limit [Å] | 1.530 | 1.530 |
Rmerge | 0.146 | 1.790 |
Number of reflections | 89882 | |
<I/σ(I)> | 11.6 | |
Completeness [%] | 100.0 | |
Redundancy | 12.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 100mM sodium acetate pH 4.5, PEG 2K MME |