6S49

Crystal Structure of the Homospermidine Synthase (HSS) variant E210A from Blastochloris viridis in Complex with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0332
Spacegroup name	P 2 21 21
Unit cell lengths	59.980, 109.822, 157.281
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.938 - 1.690
R-factor	0.1564
Rwork	0.155
R-free	0.18620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4plp
RMSD bond length	0.011
RMSD bond angle	1.058
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.040	1.720
High resolution limit [Å]	1.690	1.690
Rmeas	0.230
Number of reflections	115391	4205
<I/σ(I)>	5.8
Completeness [%]	98.7
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	291	Sodium acetate, Ammonium acetate, PEG 10000, NDSB-201, Agmatine sulfate