3GMC

Crystal Structure of 2-Methyl-3-hydroxypyridine-5-carboxylic acid Oxygenase with substrate bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97950
Spacegroup name	C 1 2 1
Unit cell lengths	110.490, 129.540, 89.100
Unit cell angles	90.00, 122.60, 90.00

Refinement procedure

Resolution	49.040 - 2.100
R-factor	0.188
Rwork	0.188
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.094	0.056	0.213
Number of reflections	58150
<I/σ(I)>	12.6
Completeness [%]	94.4	99.6	74.2
Redundancy	3.6	3.7	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	295	6-9% PEG8000, 100 mM Tris, 10 mM soak with MHPC, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K