3U4A

From soil to structure: a novel dimeric family 3-beta-glucosidase isolated from compost using metagenomic analysis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	121.748, 121.748, 242.816
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.680 - 2.196
R-factor	0.1877
Rwork	0.188
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.921
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.196	2.196
Rmerge	0.101	0.649
Number of reflections	93226
<I/σ(I)>	20.6	1.48
Completeness [%]	99.5	94.7
Redundancy	10.6	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M sodium citrate, 30% (w/v) PEG 3350, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K