3TBC

Small laccase from Streptomyces viridosporus T7A; alternate crystal form complexed with acetovanillone.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-20
Detector	RAYONIX MX-300
Wavelength(s)	0.97857
Spacegroup name	P 31 2 1
Unit cell lengths	127.020, 127.020, 155.540
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.757 - 2.700
R-factor	0.1595
Rwork	0.157
R-free	0.20960
RMSD bond length	0.008
RMSD bond angle	1.275
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	2.770
High resolution limit [Å]	2.700	12.070	2.700
Rmerge	0.132	0.034	0.974
Number of reflections	40270	393	2927
<I/σ(I)>	15.42	45.66	2.2
Completeness [%]	99.6	74.4	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	282	Protein concentration was 20 mg/mL in 20 mM Tris-HCl, the precipitant contained 5% 2-propanol, and 2.5 M dibasic potassium phosphate/monobasic sodium phosphate (pH 5.5). The crystals were soaked overnight in mother liqueur containing 20 mM acetovanillone, VAPOR DIFFUSION, HANGING DROP, temperature 282K