6M4W

Crystal structure of MBP fused split FKBP-FRB T2098L mutant in complex with rapamycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-10
Detector	RAYONIX MX225-HS
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	127.546, 127.546, 278.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.650 - 3.110
R-factor	0.23842
Rwork	0.236
R-free	0.27844
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fap
RMSD bond length	0.002
RMSD bond angle	0.664
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.600	3.230
High resolution limit [Å]	3.110	3.110
Number of reflections	42250	4337
<I/σ(I)>	9.5
Completeness [%]	100.0
Redundancy	14.8
CC(1/2)	0.992	0.522

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM Tris-HCl buffer (pH 7.0), 200 mM calcium acetate and 20% (w/v) PEG 3000