1N4S

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-29
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	271.121, 268.426, 184.818
Unit cell angles	90.00, 131.58, 90.00

Refinement procedure

Resolution	29.980 - 2.600
R-factor	0.194
Rwork	0.194
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.170 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000 *	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.069 *	0.435 *
Total number of observations	1011902 *
Number of reflections	300000
<I/σ(I)>	13.6	2.6
Completeness [%]	99.7	100
Redundancy	3.4

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