4PLP

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	90
Detector technology	CCD
Collection date	2011-05-12
Detector	RAYONIX MX-225
Wavelength(s)	0.918
Spacegroup name	P 21 21 21
Unit cell lengths	70.045, 109.792, 192.957
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	9.996 - 1.490
R-factor	0.1924
Rwork	0.191
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ph5
RMSD bond length	0.012
RMSD bond angle	1.413
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	96.478	47.713	1.380
High resolution limit [Å]	1.314	4.150	1.310
Rmerge		0.039	7.317
Rmeas	0.215	0.046	9.335
Rpim	0.112	0.024	5.693
Total number of observations	1068673	40233	54142
Number of reflections	307932
<I/σ(I)>	4.5	24	0.1
Completeness [%]	87.5	98.6	45.8
Redundancy	3.5	3.5	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	291	Na-acetate, ammoniumacetate, PEG 3350, PEG400 as cryoprotectant