6TFB

Carbamazepine binds Frizzled8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.916
Spacegroup name	P 21 21 21
Unit cell lengths	52.002, 68.143, 73.818
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.680
Rwork	0.201
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ijy
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	PHENIX (v1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.000	1.710
High resolution limit [Å]	1.680	1.680
Rmerge	0.057
Number of reflections	30318	1412
<I/σ(I)>	9.4	8.5
Completeness [%]	99.2
Redundancy	11.5
CC(1/2)	0.990	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	0.1 M sodium acetate, pH 5 1 M ammonium sulphate