7Y3Z
Structure of a novel carboxylesterase FEH from Acinetobacter sp. DL-2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.987 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 129.964, 148.963, 156.080 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.481 - 2.300 |
R-factor | 0.2385 |
Rwork | 0.238 |
R-free | 0.25720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5gkv |
RMSD bond length | 0.004 |
RMSD bond angle | 0.702 |
Data reduction software | HKL-3000 (7.21) |
Data scaling software | HKL-3000 (7.21) |
Phasing software | PHASER (2.7.0) |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.481 | 2.382 |
High resolution limit [Å] | 2.260 | 2.300 |
Number of reflections | 134436 | 13294 |
<I/σ(I)> | 13.62 | |
Completeness [%] | 98.8 | |
Redundancy | 6.7 | |
CC(1/2) | 0.999 | 0.276 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 1.2 M potassium phosphate dibasic, 800 mM Sodium phosphate monobasic, 100 mM Sodium acetate/Acetic acid |