7T0B

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

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	141.915, 141.915, 130.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.820 - 2.026
R-factor	0.1733
Rwork	0.172
R-free	0.19910
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	2.099
High resolution limit [Å]	2.026	2.026
Rmerge	0.079	0.756
Rmeas	0.087	0.833
Rpim	0.035	0.344
Number of reflections	85639	7820
<I/σ(I)>	14.46	2.47
Completeness [%]	98.9	91.55
Redundancy	6	5.7
CC(1/2)	0.998	0.898

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.