4UHD
Structural studies of a thermophilic esterase from Thermogutta terrifontis (acetate bound)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | DECTRIS PIXEL |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 43.280, 43.280, 227.290 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.480 - 1.070 |
R-factor | 0.09443 |
Rwork | 0.094 |
R-free | 0.11203 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xua |
RMSD bond length | 0.014 |
RMSD bond angle | 1.836 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.480 | 1.100 |
High resolution limit [Å] | 1.070 | 1.070 |
Rmerge | 0.030 | 0.280 |
Number of reflections | 99937 | |
<I/σ(I)> | 33.3 | 5.6 |
Completeness [%] | 90.5 | 51.1 |
Redundancy | 9.1 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |