8HEA
Esterase2 (EaEst2) from Exiguobacterium antarcticum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-26 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9796 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.362, 67.789, 89.617 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.700 - 1.740 |
R-factor | 0.1968 |
Rwork | 0.196 |
R-free | 0.21320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tqh |
RMSD bond length | 0.016 |
RMSD bond angle | 1.781 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.790 |
High resolution limit [Å] | 1.740 | 1.740 |
Number of reflections | 32327 | 1560 |
<I/σ(I)> | 53.7 | |
Completeness [%] | 100.0 | |
Redundancy | 13 | |
CC(1/2) | 0.990 | 0.980 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 296 | 0.1M HEPES:NaOH (pH 7.5), 20% (w/v) PEG 8000 |