5S7U

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010938a

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	128.377, 84.481, 89.111
Unit cell angles	90.00, 131.52, 90.00

Refinement procedure

Resolution	66.720 - 1.590
R-factor	0.2193
Rwork	0.217
R-free	0.26080
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6srh
RMSD bond length	0.008
RMSD bond angle	1.517
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.990	1.620
High resolution limit [Å]	1.590	1.590
Rmerge	0.058	2.647
Rmeas	0.063	2.974
Rpim	0.024	1.314
Total number of observations	456344	70892
Number of reflections	85393	4373
<I/σ(I)>	12.8	0.5
Completeness [%]	82.8	91.56
Redundancy	6.7	4.7
CC(1/2)	1.000	0.280

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