6C4T

Staphylopine dehydrogenase (SaODH) - NADP+ bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97937
Spacegroup name	P 21 21 2
Unit cell lengths	186.096, 49.258, 59.106
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.580 - 2.490
R-factor	0.224
Rwork	0.219
R-free	0.26590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6c4l
RMSD bond length	0.015
RMSD bond angle	1.290
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.580	2.590
High resolution limit [Å]	2.490	2.490
Rmerge	0.090	0.889
Number of reflections	19677	2121
<I/σ(I)>	12.2
Completeness [%]	99.5
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100 mM Tris pH 8.0, 100 mM lithium sulfate, 23% (w/v) PEG 3350