5S76

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010916a

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	126.929, 84.820, 87.927
Unit cell angles	90.00, 130.84, 90.00

Refinement procedure

Resolution	63.650 - 1.310
R-factor	0.1557
Rwork	0.155
R-free	0.17340
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6srh
RMSD bond length	0.014
RMSD bond angle	1.924
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.500	1.330
High resolution limit [Å]	1.310	1.310
Rmerge	0.092	0.457
Rmeas	0.099	0.640
Rpim	0.038	0.447
Total number of observations	756921	30848
Number of reflections	120126	611
<I/σ(I)>	12	1
Completeness [%]	85.1	7.27
Redundancy	6.3	1.3
CC(1/2)	0.998	0.619

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