6Z68
A novel metagenomic alpha/beta-fold esterase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.976246 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 58.710, 77.190, 162.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.280 - 1.350 |
R-factor | 0.1381 |
Rwork | 0.138 |
R-free | 0.18410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | xxxx |
RMSD bond length | 0.017 |
RMSD bond angle | 2.006 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | Auto-Rickshaw |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.280 | 1.402 |
High resolution limit [Å] | 1.350 | 1.353 |
Rmerge | 0.057 | 0.488 |
Number of reflections | 155980 | 10966 |
<I/σ(I)> | 16.64 | |
Completeness [%] | 96.7 | |
Redundancy | 6.2 | |
CC(1/2) | 0.999 | 0.804 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 285 | 0.25 M magnesium chloride, 0.1 M Tris pH 8.5 and 35 % (w/v) PEG 4000 with 0.01 M TCEP |