5S7Z

XChem group deposition -- Crystal Structure of human ACVR1 in complex with NU074488b

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	126.941, 84.689, 87.734
Unit cell angles	90.00, 130.87, 90.00

Refinement procedure

Resolution	66.350 - 1.300
R-factor	0.1629
Rwork	0.162
R-free	0.18410
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6srh
RMSD bond length	0.016
RMSD bond angle	1.779
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]	66.430	66.430	1.330
High resolution limit [Å]	1.300	3.540	1.300
Rmerge	0.060	0.029	1.119
Number of reflections	121522
<I/σ(I)>	15.7	64.3	0.3
Completeness [%]	71.2	100	4.8
CC(1/2)	1.000	1.000	0.370

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