6EHN
Structural insight into a promiscuous CE15 esterase from the marine bacterial metagenome
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-01-24 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91840, 1.28202 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 110.212, 110.212, 78.666 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.000 - 1.900 |
R-factor | 0.1852 |
Rwork | 0.183 |
R-free | 0.22400 |
Structure solution method | SAD |
RMSD bond length | 0.019 |
RMSD bond angle | 2.004 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.8) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.000 | 2.160 | 1.940 |
High resolution limit [Å] | 1.900 | 2.100 | 1.900 |
Rmerge | 0.067 | 0.939 | 0.593 |
Rmeas | 0.074 | 0.652 | |
Rpim | 0.031 | 0.409 | 0.270 |
Number of reflections | 43689 | 2407 | 2774 |
<I/σ(I)> | 16.4 | ||
Completeness [%] | 99.9 | 98.5 | 100 |
Redundancy | 5.6 | 11.7 | 5.6 |
CC(1/2) | 0.999 | 0.646 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | PEG 3350, 24% NaCitrate, pH 6, 0.1 M |