7XIH

Crystal structure of the aminopropyltransferase, SpeE from hyperthermophilic crenarchaeon, Pyrobaculum calidifontis in complex with 5'-methylthioadenosine (MTA) and spermidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.90000
Spacegroup name	C 1 2 1
Unit cell lengths	176.567, 57.256, 54.485
Unit cell angles	90.00, 98.50, 90.00

Refinement procedure

Resolution	39.230 - 1.200
R-factor	0.12066
Rwork	0.119
R-free	0.15353
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xif
RMSD bond length	0.017
RMSD bond angle	2.045
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.100	1.220
High resolution limit [Å]	1.200	1.200
Number of reflections	166200	8259
<I/σ(I)>	15.1
Completeness [%]	99.2
Redundancy	3.4
CC(1/2)	0.999	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Ammonium acetate, PEG 2000MME