4UHF
Structural studies of a thermophilic esterase from Thermogutta terrifontis (L37A mutant with butyrate bound)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 43.230, 43.230, 227.830 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.970 - 1.080 |
| R-factor | 0.11459 |
| Rwork | 0.114 |
| R-free | 0.13561 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xua |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.806 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.970 | 1.110 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Rmerge | 0.070 | 1.120 |
| Number of reflections | 107910 | |
| <I/σ(I)> | 14.8 | 2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 9.3 | 8.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
