1TCO

TERNARY COMPLEX OF A CALCINEURIN A FRAGMENT, CALCINEURIN B, FKBP12 AND THE IMMUNOSUPPRESSANT DRUG FK506 (TACROLIMUS)

Experimental procedure

Detector technology	IMAGE PLATE
Collection date	1995
Detector	RIGAKU RAXIS
Spacegroup name	P 21 21 21
Unit cell lengths	90.050, 94.430, 116.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 2.500
R-factor	0.195
Rwork	0.195
R-free	0.28200
RMSD bond length	0.009
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.300 *
Rmerge	0.050 *
Number of reflections	41097
Completeness [%]	91.3
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *		4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	8 (%)
2	1	reservoir	potassium phosphate	0.1 (M)
3	1	reservoir	beta-mercaptoethanol	20 (mM)