2FAP

THE STRUCTURE OF THE IMMUNOPHILIN-IMMUNOSUPPRESSANT FKBP12-(C16)-ETHOXY RAPAMYCIN COMPLEX INTERACTING WITH HUMA

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1996-07-29
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 21 21 21
Unit cell lengths	44.630, 52.140, 102.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.200
R-factor	0.196
Rwork	0.196
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fap
RMSD bond length	0.006
RMSD bond angle	25.500 *
Data reduction software	UCSD
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.087	0.270
Total number of observations	30805 *
Number of reflections	12865
Completeness [%]	97.4	90.8
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *		used to seeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	20 (mM)
2	1	drop		150 (mM)
3	1	reservoir	PEG8000	15-20 (%)
4	1	reservoir	MPD	5-10 (%)
5	1	reservoir	Tris-HCl	100 (mM)