8VCA

Crystal Structure of plant Carboxylesterase 15

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	2022-09-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	83.915, 83.915, 117.177
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.040 - 2.300
R-factor	0.2044
Rwork	0.200
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.524
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.20.1-4487)
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.040	2.380
High resolution limit [Å]	2.300	2.300
Rpim	0.049	0.397
Number of reflections	19200	41114
<I/σ(I)>	11
Completeness [%]	99.9
Redundancy	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2M Sodium/Potassium Phosphate pH7.5, 0.1M HEPES pH7.5, 22.5% /v PEG Smear Medium, 10% Glycerol