5S8B

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010960a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	C 1 2 1
Unit cell lengths	127.217, 84.799, 88.167
Unit cell angles	90.00, 130.98, 90.00

Refinement procedure

Resolution	66.560 - 1.640
R-factor	0.1996
Rwork	0.198
R-free	0.23340
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6srh
RMSD bond length	0.009
RMSD bond angle	1.544
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.620	66.620	1.670
High resolution limit [Å]	1.640	4.450	1.640
Rmerge	0.184	0.070	2.133
Number of reflections	86278
<I/σ(I)>	6.2	24.8	0.5
Completeness [%]	100.0	100	100
CC(1/2)	0.990	0.990	0.330

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate