3NDR

Crystal structure of tetrameric pyridoxal 4-dehydrogenase from Mesorhizobium loti

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-01
Detector	ADSC QUANTUM 210
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	86.203, 51.109, 91.732
Unit cell angles	90.00, 89.36, 90.00

Refinement procedure

Resolution	39.733 - 2.880
R-factor	0.188
Rwork	0.185
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ew8
RMSD bond length	0.009
RMSD bond angle	1.173
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.880	2.880
Rmerge	0.108	0.430
Number of reflections	16995
<I/σ(I)>	9.9	2.5
Completeness [%]	97.4	97.1
Redundancy	2.1	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1M Sodium acetate, 0.1M Tris-HCl, 30% PEG4000, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K