8BWN

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 (4010 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)	3.09187
Spacegroup name	P 21 21 21
Unit cell lengths	57.574, 89.178, 97.681
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.860 - 2.570
R-factor	0.2529
Rwork	0.252
R-free	0.28290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.411
Data reduction software	autoPROC (1.0.5 (20211020))
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]	65.860	2.845
High resolution limit [Å]	2.567	2.567
Rmerge	0.092	1.590
Rmeas	0.097	1.674
Rpim	0.029	0.520
Number of reflections	12005	600
<I/σ(I)>	13.5	1.3
Completeness [%]	72.0	13.9
Redundancy	10.2	10.1
CC(1/2)	0.998	0.599

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD, 100 mM CaCl2, 0.1 M MOPS/HEPES-Na pH 7.5