8HWO

Crystal Structure of mutant GDSL Esterase of Photobacterium sp. J15

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Collection date	2019-10-02
Detector	RIGAKU
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	55.120, 55.820, 120.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.960
Rwork	0.244
R-free	0.29940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xtu
Data reduction software	iMOSFLM
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.960
High resolution limit [Å]	1.960	1.960
Number of reflections	25427	25427
<I/σ(I)>	13.4	2.1
Completeness [%]	98.6	98.38
Redundancy	1.8	1.8
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M ammonium acetate as salt, 30% (w/v) polyethylene glycol 4,000 as precipitant in 0.1 M sodium acetate trihydrate buffer at pH 4.6