8BWM

Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation factor 5 (GDF5) and calcium, long-wavelength X-ray dataset (4042 eV)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	Diamond
Beamline	I23
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-17
Detector	DECTRIS PILATUS 12M
Wavelength(s)	3.06740
Spacegroup name	P 21 21 21
Unit cell lengths	57.480, 89.263, 97.782
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.920 - 2.500
R-factor	0.2249
Rwork	0.222
R-free	0.27810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.509
Data reduction software	XDS (Jan 10, 2022 (BUILT 20220110))
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.925	2.811
High resolution limit [Å]	2.496	2.496
Rmerge	0.119	1.507
Rmeas	0.126	1.589
Rpim	0.038	0.499
Number of reflections	12362	618
<I/σ(I)>	12.2	1.4
Completeness [%]	68.3	11.7
Redundancy	10	9.9
CC(1/2)	0.996	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	12.1% w/v PEG 1000, 12.1% w/v PEG 3350, 12.1% v/v MPD, 97 mM CaCl2, 0.097 M Bicine/Trizma pH 8.5