3VSG

Crystal structure of iron free 1,6-APD, 2-Animophenol-1,6-Dioxygenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2007-04-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	269.730, 48.260, 108.440
Unit cell angles	90.00, 109.44, 90.00

Refinement procedure

Resolution	39.780 - 2.400
R-factor	0.186
Rwork	0.186
R-free	0.24700
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.470
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SnB
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.780	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.073	0.323
Number of reflections	48049
<I/σ(I)>	20.6	4.4
Completeness [%]	91.8	82.5
Redundancy	4.5	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	25% PEG 3350, 0.2M SODIUM CHLORIDE, PH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	25% PEG 3350, 0.2M SODIUM CHLORIDE, PH 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K