4YDO

CRYSTAL STRUCTURE OF CANDIDA ALBICANS PROTEIN FARNESYLTRANSFERASE IN APO FORM

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	2014-10-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 43 2 2
Unit cell lengths	96.824, 96.824, 189.082
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.301 - 3.000
R-factor	0.2286
Rwork	0.226
R-free	0.24930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yde
RMSD bond length	0.004
RMSD bond angle	0.839
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1839))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.820	3.100
High resolution limit [Å]	3.000	3.000
Rmerge		0.790
Number of reflections	18560
<I/σ(I)>	16.7	2.45
Completeness [%]	98.3	97
Redundancy	7.97	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	290	9%-13% PEG 2050 chips, 100 mM HEPES pH 7.2 100 mM CaCl2, 5 uM ZnCl2