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