7LPP

Crystal structure of Cryptococcus neoformans sterylglucosidase 1 with hit 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	150
Detector technology	PIXEL
Collection date	2020-02-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	98.100, 133.161, 129.586
Unit cell angles	90.00, 94.46, 90.00

Refinement procedure

Resolution	58.120 - 2.850
R-factor	0.1933
Rwork	0.191
R-free	0.24200
Structure solution method	SAD
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]	65.490	65.490	2.910
High resolution limit [Å]	2.850	14.250	2.850
Rmerge	0.334	0.082	1.752
Rmeas	0.361	0.090	1.887
Rpim	0.135	0.035	0.697
Number of reflections	77245	642	4537
<I/σ(I)>	5.1	9.3	1.5
Completeness [%]	99.7	98.4	99.4
Redundancy	7	6.7	7.2
CC(1/2)	0.975	0.988	0.625

Crystallization Conditions

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