5S83

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010948a

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	127.234, 84.725, 87.992
Unit cell angles	90.00, 131.01, 90.00

Refinement procedure

Resolution	43.990 - 1.330
R-factor	0.1611
Rwork	0.160
R-free	0.18480
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6srh
RMSD bond length	0.014
RMSD bond angle	1.872
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]	43.970	43.970	1.350
High resolution limit [Å]	1.330	3.610	1.330
Rmerge	0.065	0.031	1.356
Number of reflections	122118
<I/σ(I)>	14.4	59.5	0.3
Completeness [%]	76.1	100	13.4
CC(1/2)	1.000	1.000	0.340

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