3VO0

Crystal structure of beta-glucuronidase from Acidobacterium capsulatum covalent-bonded with 2-deoxy-2-fluoro-D-glucuronic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	CCD
Collection date	2011-12-16
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	I 41 2 2
Unit cell lengths	101.489, 101.489, 218.238
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.090 - 1.900
R-factor	0.20757
Rwork	0.206
R-free	0.23959
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vny
RMSD bond length	0.014
RMSD bond angle	1.389
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]	32.094	1.960
High resolution limit [Å]	1.900	1.900
Rmerge	0.076	0.485
Number of reflections	45161
<I/σ(I)>	35.5	9
Completeness [%]	99.9	100
Redundancy	24.6	100

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