1N4R

Protein Geranylgeranyltransferase type-I Complexed with a Geranylgeranylated KKKSKTKCVIL Peptide Product

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-12
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00008
Spacegroup name	C 1 2 1
Unit cell lengths	272.068, 268.801, 185.310
Unit cell angles	90.00, 131.55, 90.00

Refinement procedure

Resolution	29.860 - 2.800
R-factor	0.2
Rwork	0.200
R-free	0.21700 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.180 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.074 *	0.432 *
Total number of observations	785048 *
Number of reflections	240519 *
<I/σ(I)>	13	2.3
Completeness [%]	99.4	98
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	17 *	ammonium sulfate, sodium citrate, dithiothreitol , pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	ammonium sulfate	1.3 (M)
3	1	reservoir		175 (mM)	pH6.5
4	1	reservoir	dithiothreitol	20 (mM)
5	1	reservoir	MES	100 (mM)	pH6.3