5GPG

Co-crystal structure of the FK506 binding domain of human FKBP25, Rapamycin and the FRB domain of human mTOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-17
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	46.038, 58.352, 86.502
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.730 - 1.670
R-factor	0.176
Rwork	0.174
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pbk 1fap
RMSD bond length	0.006
RMSD bond angle	1.047
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.700
High resolution limit [Å]	1.669	1.670
Rmerge	0.081	0.512
Number of reflections	27591
<I/σ(I)>	27.1
Completeness [%]	99.3
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	30% polyethyleneglycol 8000, 100mM sodium cacodylate, 200mM sodium acetate, 10mM manganese chloride