8BWA

Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with platinum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03003
Spacegroup name	P 65 2 2
Unit cell lengths	98.430, 98.430, 188.160
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.220 - 3.610
R-factor	0.3415
Rwork	0.339
R-free	0.39020
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.596
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	autoSHARP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.720	3.670
High resolution limit [Å]	3.610	3.610
Rmerge	0.143	7.612
Rmeas	0.146	7.767
Rpim	0.029	1.524
Number of reflections	6653	319
<I/σ(I)>	13.6	0.6
Completeness [%]	99.5	99.7
Redundancy	25.8	25.4
CC(1/2)	0.999	0.247

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.77 M LiCl, 15.5% w/v PEG 6000, 77 mM HEPES pH 7.0, 5.2% 2,2,2-trifluoroethanol. The crystal was soaked in saturated solution of di-mu-iodobis(ethylenediamine)diplatinum(2) nitrate (PIP) solution before data collection.