5S7Y

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010933a

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	127.123, 84.796, 88.072
Unit cell angles	90.00, 130.85, 90.00

Refinement procedure

Resolution	66.620 - 1.370
R-factor	0.1614
Rwork	0.160
R-free	0.18450
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6srh
RMSD bond length	0.014
RMSD bond angle	1.902
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]	66.620	1.500
High resolution limit [Å]	1.370	1.420
Rmerge	0.061	1.604
Rmeas	0.066	1.819
Rpim	0.025	0.833
Total number of observations	674555	39118
Number of reflections	117841
<I/σ(I)>	14.5	0.7
Completeness [%]	80.0	46.3
Redundancy	6.4	4.4
CC(1/2)	0.999	0.458

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