7T0D

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

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	2020-03-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
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	42.430 - 1.906
R-factor	0.1738
Rwork	0.173
R-free	0.19500
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]	42.430	1.974
High resolution limit [Å]	1.906	1.906
Rmerge	0.063	0.720
Rmeas	0.069	0.788
Rpim	0.028	0.316
Number of reflections	103127	9878
<I/σ(I)>	15.61	2.59
Completeness [%]	99.4	96.6
Redundancy	6	6
CC(1/2)	0.998	0.912

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.