1KPE

PKCI-TRANSITION STATE ANALOG

Experimental procedure

Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1996-10-10
Detector	RIGAKU RAXIS II
Spacegroup name	P 21 21 21
Unit cell lengths	46.200, 77.800, 80.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.800
R-factor	0.195
Rwork	0.195
R-free	0.22300
RMSD bond length	0.015
RMSD bond angle	26.980 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.800
Rmerge	0.085
Total number of observations	318416 *
Number of reflections	43312 *
Completeness [%]	84.3
Redundancy	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	20 *	Lima, C.D., (1996) Proc.Nat.Acad.Sci.USA, 93, 5357. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	13-18 (%)
2	1	reservoir	sodium cacodylate	100 (mM)
3	1	drop	PKCI-1	3-6 (mg/ml)