4FNG
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9393 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 48.620, 100.510, 221.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.686 - 1.950 |
R-factor | 0.1799 |
Rwork | 0.177 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4FG5 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.086 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.081 | 0.809 |
Number of reflections | 43420 | |
<I/σ(I)> | 16.5 | 2.15 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 6.6 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.5 | 298 | 100mM PEGMME 2K pH 4.5, VAPOR DIFFUSION, temperature 298K |