6LZH

Crystal structure of Alpha/beta hydrolase GrgF from Penicillium sp. sh18

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-10-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0800
Spacegroup name	P 1
Unit cell lengths	42.683, 55.010, 67.272
Unit cell angles	101.71, 100.51, 114.28

Refinement procedure

Resolution	47.670 - 1.900
R-factor	0.1801
Rwork	0.178
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hdw
RMSD bond length	0.007
RMSD bond angle	0.903
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.670	2.020
High resolution limit [Å]	1.900	1.900
Rmeas	0.086	0.483
Number of reflections	39582	6083
<I/σ(I)>	11.5	2.79
Completeness [%]	96.3	91.5
Redundancy	3.626	3.404
CC(1/2)	0.997	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3350, Calcium acetate hydrate