8WGU

Crystal structure of V30M-TTR in complex with compound 20

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	43.234, 85.530, 63.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.585 - 1.508
R-factor	0.1906
Rwork	0.189
R-free	0.21260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.989
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.585	1.560
High resolution limit [Å]	1.508	1.510
Rmeas	0.054	0.986
Rpim	0.018	0.323
Number of reflections	37996	3698
<I/σ(I)>	20.8	2.1
Completeness [%]	99.8
Redundancy	9.1
CC(1/2)	0.999	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 400, sodium acetate, calcium chloride