7W5G

The apo structure of trichobrasilenol synthase TaTC6 with the space group of orthorhombic

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2020-01-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97892
Spacegroup name	P 21 21 21
Unit cell lengths	67.831, 71.063, 81.017
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.660 - 1.800
R-factor	0.1598
Rwork	0.158
R-free	0.19380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4okm
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.094	0.050	0.480
Rmeas	0.101	0.054	0.518
Rpim	0.036	0.020	0.192
Total number of observations	287793
Number of reflections	36792	3911	3604
<I/σ(I)>	5.7
Completeness [%]	100.0	100	99.9
Redundancy	7.8	7.5	7.1
CC(1/2)		0.998	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		297	1.6 M Lithium sulfate, 0.09 M Magnesium sulfate, 50 mM HEPES, pH 7.0