7T09

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

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	CCD
Collection date	2017-10-05
Detector	RAYONIX MX300-HS
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	46.820 - 1.984
R-factor	0.1726
Rwork	0.172
R-free	0.19400
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]	46.820	2.055
High resolution limit [Å]	1.984	1.984
Rmerge	0.079	0.718
Rmeas	0.087	0.786
Rpim	0.035	0.317
Number of reflections	90648	8084
<I/σ(I)>	13.84	2.54
Completeness [%]	98.5	88.97
Redundancy	6	5.9
CC(1/2)	0.998	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	290	100 mM CAPSO, pH 9.5, 50-75 mM lithium sulfate, 200 mM sodium chloride, 16-21% PEG4000