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