7VTB

Partially closed conformation of talaropentaene synthase cyclase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-19
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1
Spacegroup name	I 1 2 1
Unit cell lengths	75.809, 61.942, 81.297
Unit cell angles	90.00, 116.30, 90.00

Refinement procedure

Resolution	47.200 - 2.000
R-factor	0.1827
Rwork	0.181
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vta
RMSD bond length	0.007
RMSD bond angle	0.722
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.200	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.050	0.232
Number of reflections	22448	1621
<I/σ(I)>	14.3	4.2
Completeness [%]	98.1
Redundancy	3.6	3.7
CC(1/2)	0.998	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris-Cl pH 8.5, 0.1 M MgCl2, 30% PEG 4000, 0.2 M NDSB-211