7T0E

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

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	2019-07-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	140.830, 140.830, 130.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.410 - 2.223
R-factor	0.1911
Rwork	0.191
R-free	0.20630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sfx
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.410	2.302
High resolution limit [Å]	2.223	2.223
Rmerge	0.063	0.767
Rmeas	0.069	0.838
Rpim	0.028	0.334
Number of reflections	64466	6241
<I/σ(I)>	19.01	2.74
Completeness [%]	99.3	97.52
Redundancy	6.1	6.2
CC(1/2)	0.999	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	290	100mM CAPSO pH9.5, 50-75mM Li2SO4, 200mM NaCl, 16%-21% PEG4000.