1WV4

X-ray Structure of Escherichia coli pyridoxine 5'-phosphate oxidase in tetragonal crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-09-27
Detector	RIGAKU RAXIS II
Wavelength(s)	1.5418
Spacegroup name	P 41
Unit cell lengths	54.420, 54.420, 164.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.380 - 2.600
R-factor	0.242
Rwork	0.242
R-free	0.29000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dnl
RMSD bond length	0.022
RMSD bond angle	2.100
Data reduction software	bioteX
Data scaling software	bioteX
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.380	2.800
High resolution limit [Å]	2.600	2.600
Rmerge	0.063	0.249
Number of reflections	14262
<I/σ(I)>	12.4	2.7
Completeness [%]	90.8	91.3
Redundancy	4.2	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	Na Hepes, ammonium phosphate, potassium phosphate, mercaptoethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K