5HK5

Structure of the Grem2-GDF5 Inhibitory Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.032
Spacegroup name	P 21 2 21
Unit cell lengths	114.721, 125.791, 125.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.550 - 2.900
R-factor	0.2625
Rwork	0.261
R-free	0.28240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jph GDF5
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.12)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.550	50.450	3.020
High resolution limit [Å]	2.900	10.460	2.900
Rmerge	0.164	0.044	1.467
Rpim	0.068
Total number of observations	271627
Number of reflections	40910
<I/σ(I)>	8	16	1.6
Completeness [%]	100.0	99.2	100
Redundancy	6.6	5.8	6.4
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	HEPES, ammonium chloride, ethylammonium nitrate