2FJ0
Crystal Structure of Juvenile Hormone Esterase from Manduca sexta, with OTFP covalently attached
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-05-09 |
Detector | ADSC QUANTUM |
Wavelength(s) | 0.95 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 96.820, 96.820, 165.395 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.900 - 2.700 |
R-factor | 0.204 |
Rwork | 0.204 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.600 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.081 | 0.418 |
Number of reflections | 21455 | |
<I/σ(I)> | 9.3 | 2.3 |
Completeness [%] | 96.4 | 97.4 |
Redundancy | 3 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295 | 14% PEG 3000, 80 mM sodium citrate, 20 mM citric acid, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |