3TA4

Small laccase from Amycolatopsis sp. ATCC 39116 complexed with 1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)-1,3-dihydroxypropane

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-29
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	C 2 2 21
Unit cell lengths	84.420, 115.260, 163.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.799 - 2.350
R-factor	0.1794
Rwork	0.176
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.408
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_764)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.410
High resolution limit [Å]	2.350	10.510	2.350
Rmerge	0.116	0.030	0.812
Number of reflections	33545	362	2456
<I/σ(I)>	20.65	59.16	2.71
Completeness [%]	99.8	82.8	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	277	The protein concentration was 20 mg/mL buffered with 20 mM Tris-HCl; precipitate contained 25% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 7.9