5FRD
Structure of a thermophilic esterase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.070, 67.200, 140.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 70.290 - 1.400 |
R-factor | 0.15686 |
Rwork | 0.156 |
R-free | 0.17347 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a8q |
RMSD bond length | 0.011 |
RMSD bond angle | 1.631 |
Data reduction software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.300 | 1.440 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.040 | 0.460 |
Number of reflections | 102188 | |
<I/σ(I)> | 18.9 | 2 |
Completeness [%] | 98.9 | 89.6 |
Redundancy | 5.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |