5JD5
Crystal structure of MGS-MilE3, an alpha/beta hydrolase enzyme from the metagenome of pyrene-phenanthrene enrichment culture with sediment sample of Milazzo Harbor, Italy
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-07-16 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.668, 97.160, 167.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.720 - 1.950 |
R-factor | 0.196 |
Rwork | 0.195 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2WIR |
RMSD bond length | 0.006 |
RMSD bond angle | 0.993 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.720 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.080 | 0.574 |
Number of reflections | 103264 | |
<I/σ(I)> | 15.63 | 2.16 |
Completeness [%] | 94.1 | 97.9 |
Redundancy | 2.7 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1 M Tris pH 8.5, 0.2 M sodium acetate, 30% (w/v) PEG4K, 1/70 chymotrypsin. Cryoprotectant: paratone-N oil. |