3T37

Crystal structure of pyridoxine 4-oxidase from Mesorbium 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	2011-06-13
Detector	ADSC QUANTUM 210
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	62.380, 79.438, 136.429
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.034 - 2.193
R-factor	0.187
Rwork	0.185
R-free	0.22020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nne
RMSD bond length	0.008
RMSD bond angle	1.198
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.280	2.240
High resolution limit [Å]	2.193	2.240	2.200
Rmerge	0.073	0.073	0.481
Number of reflections	35380
<I/σ(I)>	43.5	43.5
Completeness [%]	99.8	98.8	98.8
Redundancy	8.6	8.6	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	HEPES Na-salt (pH7.5) 0.1M, 2-Propanol 10%, PEG 4000 20%, VAPOR DIFFUSION, SITTING DROP, temperature 293K