4UHC
Structural studies of a thermophilic esterase from Thermogutta terrifontis (Native)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | DECTRIS PIXEL |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 43.190, 43.190, 226.630 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 75.540 - 1.030 |
R-factor | 0.11 |
Rwork | 0.109 |
R-free | 0.12853 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xua |
RMSD bond length | 0.010 |
RMSD bond angle | 1.572 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.500 | 1.060 |
High resolution limit [Å] | 1.030 | 1.030 |
Rmerge | 0.060 | 0.620 |
Number of reflections | 121070 | |
<I/σ(I)> | 18.5 | 2.4 |
Completeness [%] | 98.4 | 84 |
Redundancy | 8 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |