4UHE
Structural studies of a thermophilic esterase from Thermogutta terrifontis (malate bound)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 43.330, 43.330, 227.060 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.520 - 1.160 |
R-factor | 0.10854 |
Rwork | 0.107 |
R-free | 0.14224 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xua |
RMSD bond length | 0.015 |
RMSD bond angle | 1.834 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.520 | 1.190 |
High resolution limit [Å] | 1.160 | 1.160 |
Rmerge | 0.090 | 0.960 |
Number of reflections | 86054 | |
<I/σ(I)> | 12.2 | 2.2 |
Completeness [%] | 98.6 | 95.6 |
Redundancy | 9.6 | 9.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |