2ZIR

Crystal Structure of rat protein farnesyltransferase complexed with a benzofuran inhibitor and FPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6B
Synchrotron site	Photon Factory
Beamline	BL-6B
Temperature [K]	100
Detector technology	DIFFRACTOMETER
Collection date	2001-06-05
Detector	WEISSENBERG
Wavelength(s)	1.000
Spacegroup name	P 61
Unit cell lengths	171.996, 171.996, 69.179
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.000 - 2.400
Rwork	0.195
R-free	0.23000
Structure solution method	MR
Starting model (for MR)	1fpp
RMSD bond length	0.006
RMSD bond angle	1.329
Data reduction software	DENZO (1.9.0)
Data scaling software	SCALEPACK (1.9.0)
Phasing software	MOLREP (6.2.5)
Refinement software	CNX (2000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.490
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.045	0.017	0.396
Number of reflections	44027
<I/σ(I)>	21.8
Completeness [%]	95.9	98.6	86.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	277	20mg/ml protein, 0.5mM FPP, 1mM inhibitor, 10% PEG6000, 0.2M Mg acetate, 0.1M Na acetate buffer, pH4.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K