1J4R

FK506 BINDING PROTEIN COMPLEXED WITH FKB-001

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	1998-05-22
Detector	BRUKER
Spacegroup name	P 32
Unit cell lengths	56.000, 56.000, 78.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 1.800
R-factor	0.205
Rwork	0.205
R-free	0.25000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FKBP FROM PDB ENTRY 1BL4
RMSD bond length	0.012
RMSD bond angle	1.600
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	9999.000 *	1.900
High resolution limit [Å]	1.800 *	1.800 *
Rmerge	0.042 *	0.155 *
Total number of observations	77913 *
Number of reflections	25481	3970 *
<I/σ(I)>	18.8	4.4
Completeness [%]	98.0 *	92 *
Redundancy	3.1	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		2.5 M AMMONIUM SULFATE, 0.1 M HEPES, PH 7.5, CRYOPROTECTANT 20% (V/V) GLYCEROL

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	HEPES	0.1 (M)	pH7.5
2	1	reservoir	ammonium sulfate	2.5 (M)
3	1	drop	protein	9.4 (mg/ml)