9VJJ

Crystal Structure of human Latent TGF-beta1 in complex with SOF10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-28
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.000006
Spacegroup name	C 1 2 1
Unit cell lengths	225.878, 91.707, 126.120
Unit cell angles	90.00, 108.58, 90.00

Refinement procedure

Resolution	36.120 - 2.477
R-factor	0.2827
Rwork	0.281
R-free	0.30980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.940
Data reduction software	XDS (Jan 26, 2018)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	119.549	119.549	2.803
High resolution limit [Å]	2.477	7.953	2.477
Rmerge	0.058	0.029	1.073
Rmeas	0.063	0.031	1.161
Rpim	0.024	0.012	0.440
Total number of observations	384791	18852	18778
Number of reflections	54758	2738	2739
<I/σ(I)>	16.95	48.38	1.55
Completeness [%]	92.1	99.6	61.8
Redundancy	7.03	6.89	6.86
CC(1/2)	0.999	0.998	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2M Sodium acetate trihydrate, 0.1M Imidazole hydrochloride (pH 8.0), 10.0% w/v Polyethylene glycol 8000