4GTS

Engineered RabGGTase in complex with BMS analogue 16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-04-17
Detector	RIGAKU
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	66.636, 91.366, 114.093
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 2.450
R-factor	0.18582
Rwork	0.183
R-free	0.24771
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dss
RMSD bond length	0.015
RMSD bond angle	1.544
Data reduction software	MOSFLM
Data scaling software	XSCALE
Phasing software	PHASES
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.550
High resolution limit [Å]	2.450	2.450
Number of reflections	25813
<I/σ(I)>	17.4	4.1
Completeness [%]	98.3	97.8
Redundancy	3.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	285	RabGGTase in 20mM Hepes pH7.2, 100mM NaCl and 2mM DTT was mixed with 15% PEG3350, 0.2M Ca Acetate, 0.1M Hepes pH7.2. The obtained crystals was soaked with 20% PEG3350, 0.2M Ca Acetate, 5% Glycerol in the presence of 1mM inhibitor for 12 hour, VAPOR DIFFUSION, HANGING DROP, temperature 285K