3RWB

Crystal structure of complex of 4PAL (4-Pyridoxolactone) and PLDH (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	2010-11-09
Detector	RIGAKU JUPITER 210
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	85.537, 50.211, 94.266
Unit cell angles	90.00, 90.47, 90.00

Refinement procedure

Resolution	39.000 - 1.699
R-factor	0.1365
Rwork	0.135
R-free	0.16620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nug
RMSD bond length	0.007
RMSD bond angle	1.192
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall
Low resolution limit [Å]	39.066
High resolution limit [Å]	1.699
Number of reflections	88415
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	0.1M Sodium acetate, 0.1M Tris-HCl, PEG 4000 30%, 0.65mM Pyridoxal, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K