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 |
