4X1J

X-ray crystal structure of the dimeric BMP antagonist NBL1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	80
Detector technology	CCD
Collection date	2013-12-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	59.665, 59.665, 145.018
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.180 - 2.500
R-factor	0.22175
Rwork	0.216
R-free	0.27315
RMSD bond length	0.013
RMSD bond angle	1.523
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall
Low resolution limit [Å]	55.180
High resolution limit [Å]	2.500
Number of reflections	9690
<I/σ(I)>	23.5
Completeness [%]	99.7
Redundancy	12.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD, 0.1 MES/imidazole (pH 6.5) and 0.02M of several amino acids (sodium L-glutamate, DL-alanine, glycine, DL-lysine HCl, DL-serine)