7T0A

Cryptococcus neoformans protein farnesyltransferase co-crystallized with FPP and inhibitor 2f

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2019-04-20
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	141.210, 141.210, 129.822
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.930 - 2.099
R-factor	0.1873
Rwork	0.187
R-free	0.21260
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]	49.930	2.174
High resolution limit [Å]	2.099	2.099
Rmerge	0.084	0.772
Rmeas	0.092	0.846
Rpim	0.037	0.342
Number of reflections	76837	7492
<I/σ(I)>	14.54	2.43
Completeness [%]	99.7	98.21
Redundancy	6.2	6
CC(1/2)	0.999	0.872

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.