7T0C

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.1158
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	70.960 - 1.903
R-factor	0.1798
Rwork	0.179
R-free	0.20130
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]	70.960	1.971
High resolution limit [Å]	1.903	1.903
Rmerge	0.071	0.694
Rmeas	0.077	0.757
Rpim	0.031	0.300
Number of reflections	103150	9408
<I/σ(I)>	13.74	2.57
Completeness [%]	99.0	91.11
Redundancy	6.1	6.2
CC(1/2)	0.998	0.927

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.