6S3X

Crystal Structure of the Homospermidine Synthase (HSS) variant E210Q 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 P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9789
Spacegroup name	P 2 21 21
Unit cell lengths	60.325, 110.100, 158.153
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.360 - 1.720
R-factor	0.1646
Rwork	0.163
R-free	0.19460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4plp
RMSD bond length	0.011
RMSD bond angle	1.142
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.360	1.690
High resolution limit [Å]	1.660	1.660
Rmeas	0.197
Number of reflections	111532	1004
<I/σ(I)>	6.4
Completeness [%]	89.5
Redundancy	7

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