7ERK

Crystal structure of V30M-TTR in complex with dasatinib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	43.174, 85.644, 63.609
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.723 - 1.703
R-factor	0.1912
Rwork	0.190
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pwe
RMSD bond length	0.005
RMSD bond angle	0.878
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.550	1.760
High resolution limit [Å]	1.700	1.700
Rmeas	0.090	0.801
Rpim	0.040	0.350
Number of reflections	26333	2512
<I/σ(I)>	12.7	2.3
Completeness [%]	99.2	95.8
Redundancy	5
CC(1/2)	0.998	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG400, CaCl2, NaOAc