4AO6
Native structure of a novel cold-adapted esterase from an Arctic intertidal metagenomic library
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 55.860, 69.870, 54.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.600 |
| R-factor | 0.18877 |
| Rwork | 0.187 |
| R-free | 0.21947 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.368 |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.020 | 0.490 |
| Number of reflections | 28142 | |
| <I/σ(I)> | 0 | 2.2 |
| Completeness [%] | 98.5 | 96 |
| Redundancy | 3.2 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 26-30% POLYETHYLENE GLYCOL (PEG) 3350, 3% GLYCEROL 0.1 M SODIUM MALONATE PH 7.0 |
