7LPQ

Crystal structure of Cryptococcus neoformans sterylglucosidase 1 with hit 9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	150
Detector technology	PIXEL
Collection date	2019-10-23
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0331
Spacegroup name	P 1 21 1
Unit cell lengths	98.417, 133.314, 130.303
Unit cell angles	90.00, 94.54, 90.00

Refinement procedure

Resolution	43.300 - 2.320
R-factor	0.1837
Rwork	0.181
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lpo
Data reduction software	Aimless
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.300	43.300	2.360
High resolution limit [Å]	2.320	12.710	2.320
Rmerge	0.152	0.038	0.987
Rmeas	0.181	0.047	1.171
Rpim	0.098	0.027	0.625
Number of reflections	144484	900	7134
<I/σ(I)>	6.5	18.4	1.4
Completeness [%]	99.8	96.7	99.7
Redundancy	3.3	3.3	3.4
CC(1/2)	0.989	0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	PEG8000, MgCl2, Tris 7.5, hit 9