6S4D

Crystal Structure of the Homospermidine Synthase (HSS) variant W229F 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	2017-11-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 2 21 21
Unit cell lengths	60.110, 110.009, 158.163
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.312 - 1.800
R-factor	0.1751
Rwork	0.173
R-free	0.20790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4plp
RMSD bond length	0.010
RMSD bond angle	0.847
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.312	1.600
High resolution limit [Å]	1.570	1.570
Rmeas	0.325
Number of reflections	134527	1408
<I/σ(I)>	4.4
Completeness [%]	91.6
Redundancy	6.8

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