7VTA

Talaromyces verruculosus talaropentaene synthase apo

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	2020-09-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	I 1 2 1
Unit cell lengths	76.503, 61.770, 81.071
Unit cell angles	90.00, 116.28, 90.00

Refinement procedure

Resolution	47.070 - 2.400
R-factor	0.2328
Rwork	0.231
R-free	0.27020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5er8
RMSD bond length	0.007
RMSD bond angle	0.911
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]	47.070	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.097	0.568
Number of reflections	13274	9399
<I/σ(I)>	13.3	3.5
Completeness [%]	99.2
Redundancy	6.9	6.8
CC(1/2)	0.997

Crystallization Conditions

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