5AOB
The structure of a novel thermophilic esterase from the Planctomycetes species, Thermogutta terrifontis, Est2-butyrate bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | DECTRIS PIXEL |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.684, 70.578, 75.305 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.550 - 1.790 |
R-factor | 0.17779 |
Rwork | 0.175 |
R-free | 0.22086 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1evq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.459 |
Data reduction software | DIALS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.600 | 1.900 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.010 | 1.220 |
Number of reflections | 31702 | |
<I/σ(I)> | 7.6 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.3 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |