6C4R

Staphylopine dehydrogenase (SaODH) - Apo

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	187.741, 49.092, 58.585
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.625 - 2.288
R-factor	0.2119
Rwork	0.207
R-free	0.26820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6c4t
RMSD bond length	0.009
RMSD bond angle	0.963
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]	38.630	2.370
High resolution limit [Å]	2.290	2.290
Rmerge	0.088	0.860
Number of reflections	25087	2343
<I/σ(I)>	12.2
Completeness [%]	99.1
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100 mM sodium citrate HCl pH 5.6, 200 mM ammonium sulfate, 25% (w/v) PEG 4000