3ANX

Crystal structure of triamine/agmatine aminopropyltransferase (SPEE) from thermus thermophilus, complexed with MTA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Spacegroup name	P 43 21 2
Unit cell lengths	88.040, 88.040, 191.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.188
Rwork	0.180
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uir
RMSD bond length	0.030
RMSD bond angle	2.686
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.500
Rmerge	0.119
Number of reflections	25838
Completeness [%]	96.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	1.8M AMMONIUM SULFATE, 0.1M MES, 1MM SAM, pH 5.50, VAPOR DIFFUSION, HANGING DROP, temperature 293K