9D8Z

Crystal structure of the ACVR1 (ALK2) Kinase Domain in complex with inhibitor CDD-2282

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2022-09-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97741
Spacegroup name	P 21 21 21
Unit cell lengths	52.438, 71.205, 158.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.770 - 1.850
R-factor	0.1902
Rwork	0.189
R-free	0.22330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.948
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_5049: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.770	1.890
High resolution limit [Å]	1.850	1.850
Number of reflections	51695	3643
<I/σ(I)>	13.4
Completeness [%]	100.0	100
Redundancy	8	8.2
CC(1/2)	0.999	0.361

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	1.8 M sodium phosphate monobasic monohydrate, Potassium phosphate dibasic, pH 5.0