9G73

Crystal structure of mouse Carboxylesterase 2e (Ces2e)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-30
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.873128
Spacegroup name	C 2 2 21
Unit cell lengths	126.931, 145.243, 149.432
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.646 - 2.400
Rwork	0.176
R-free	0.21380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.543
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.646	2.486
High resolution limit [Å]	2.400	2.400
Rmerge	0.075	0.416
Number of reflections	54113	5365
<I/σ(I)>	9.38	2.19
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.994	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	Protein stock solution in 20 mM Tris/HCl, pH 7.4, and 150 mM NaCl; ShotGun (SG1) Screen: E1 (2.0 M ammonium sulfate and 0.1 M Bis-Tris buffer pH 5.5) with protein end concentration of 2.89 mg/ml in a 0.5 uL drop