5S7E

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010930a

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	127.190, 84.639, 88.259
Unit cell angles	90.00, 131.06, 90.00

Refinement procedure

Resolution	66.550 - 1.320
R-factor	0.1682
Rwork	0.167
R-free	0.18930
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6srh
RMSD bond length	0.013
RMSD bond angle	1.775
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]	66.710	1.330
High resolution limit [Å]	1.320	1.320
Rmerge	0.050	0.954
Rmeas	0.054	1.341
Rpim	0.021	0.942
Total number of observations	711121	40974
Number of reflections	126540	646
<I/σ(I)>	15	0.7
Completeness [%]	90.2	7.65
Redundancy	6	1.3
CC(1/2)	0.999	0.389

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