8VCE
Crystal Structure of plant Carboxylesterase 20
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2023-04-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.587, 95.701, 100.313 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.000 - 1.850 |
R-factor | 0.1701 |
Rwork | 0.169 |
R-free | 0.19740 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.027 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (1.19.2_4158) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.000 | 1.900 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 55388 | 2704 |
<I/σ(I)> | 23.2 | |
Completeness [%] | 99.0 | |
Redundancy | 12.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 10% w/v PEG8000, 20% v/v Ethylene Glycol, 0.1M Imidazole, 0.03M Sodium Nitrate, 0.03M disodium hydrogen phosphate and 0.03M ammonium sulfate |