7U5O

CRYSTAL STRUCTURE OF THE BONE MORPHOGENETIC PROTEIN RECEPTOR TYPE 2 LIGAND BINDING DOMAIN IN COMPLEX WITH ACTIVIN-B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	C 1 2 1
Unit cell lengths	80.960, 115.460, 110.160
Unit cell angles	90.00, 100.92, 90.00

Refinement procedure

Resolution	36.060 - 3.450
R-factor	0.2381
Rwork	0.236
R-free	0.28440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hlr
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.340	3.780
High resolution limit [Å]	3.450	3.450
Rmerge	0.102
Rmeas	0.120
Rpim	0.062
Number of reflections	13152	3121
<I/σ(I)>	3
Completeness [%]	99.8	100
Redundancy	3.7
CC(1/2)	0.988	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	294	175 mM Ammonium Sulfate 100 mM Bis Tris 14% PEG 3000