5S7Q

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010944a

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	127.603, 84.566, 88.455
Unit cell angles	90.00, 131.33, 90.00

Refinement procedure

Resolution	66.420 - 1.530
R-factor	0.2091
Rwork	0.207
R-free	0.24350
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6srh
RMSD bond length	0.009
RMSD bond angle	1.549
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]	66.480	66.480	1.560
High resolution limit [Å]	1.530	4.150	1.530
Rmerge	0.105	0.046	2.082
Number of reflections	101573
<I/σ(I)>	8	40.5	0.3
Completeness [%]	98.5	99.9	81.4
CC(1/2)	1.000	1.000	0.350

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