5Y6Q

Crystal structure of an aldehyde oxidase from Methylobacillus sp. KY4400

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	2004-10-08
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	77.972, 77.972, 400.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.116 - 2.500
R-factor	0.1806
Rwork	0.178
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g5h
RMSD bond length	0.005
RMSD bond angle	0.814
Data reduction software	DENZO (706)
Data scaling software	SCALEPACK (706)
Phasing software	MOLREP (11.2)
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.087	0.361
Rpim	0.022	0.161
Number of reflections	44006	1944
<I/σ(I)>	24.5	3.13
Completeness [%]	99.1	90.7
Redundancy	15.1	5.7
CC(1/2)		0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1 M Sodium citrate buffer, pH 5.5, 4-5% W/V isopropanol, 22-27% W/V PEG 4000, 10-16% W/V ammonium sulfate, red cubic flash cooled after brief soaking to the bottom solution containing 30% glycerol