7T08

Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	141.915, 141.915, 130.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.170 - 1.803
R-factor	0.1761
Rwork	0.175
R-free	0.19360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sfx
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.170	1.868
High resolution limit [Å]	1.803	1.803
Rmerge	0.158	0.603
Rmeas	0.172	0.656
Rpim	0.067	0.254
Number of reflections	120525	10862
<I/σ(I)>	6.79	1.91
Completeness [%]	98.7	90.05
Redundancy	6.4	6.5
CC(1/2)	0.984	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	100mM CAPSO pH9.5, 50-75mM Li2SO4, 200mM NaCl, 16%-21% PEG4000