4JY3

Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, 5-pyridoxic acid bound form

Replaces:  3ALIReplaces:  4H28

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-05-21
Detector	ADSC QUANTUM 210
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	111.446, 129.526, 89.565
Unit cell angles	90.00, 122.70, 90.00

Refinement procedure

Resolution	41.822 - 1.770
R-factor	0.1566
Rwork	0.155
R-free	0.17880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.439
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.770	1.770
Rmerge	0.082	0.315
Number of reflections	103436
Completeness [%]	99.5	95.6
Redundancy	3.5	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1M Tris-HCl pH 8.5, 8% PEG 8000, 0.5mM 5-pyridoxic acid, VAPOR DIFFUSION, HANGING DROP, temperature 293K