7TOL

X-ray crystal structure of glycerol dibiphytanyl glycerol tetraether - macrocyclic archaeol synthase (GDGT-MAS) from Methanocaldococcus jannaschii with archaeal lipid, 5'deoxyadenosine, and methionine bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03320
Spacegroup name	P 21 21 21
Unit cell lengths	56.999, 77.598, 117.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.840 - 2.030
R-factor	0.1892
Rwork	0.186
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7tom
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.030	2.030
Number of reflections	53752	1666
<I/σ(I)>	19.25
Completeness [%]	98.5
Redundancy	3.9
CC(1/2)	0.987	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	MES, PEG 300, 5'deoxyadenosine and methionine