3VNZ

Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with D-glucuronic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	95
Detector technology	CCD
Collection date	2010-01-29
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	I 41 2 2
Unit cell lengths	101.271, 101.271, 217.768
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.420 - 1.800
R-factor	0.20054
Rwork	0.199
R-free	0.23015
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vny
RMSD bond length	0.011
RMSD bond angle	1.251
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.5.0109)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.010	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.061	0.291
Number of reflections	52642
<I/σ(I)>	51.7	10.4
Completeness [%]	99.9	100
Redundancy	14	14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.0M sodium phosphate monobasic monohydrate/potassium phosphate dibasic (0.5/9.5 [v/v]), VAPOR DIFFUSION, SITTING DROP, temperature 293K