6RV8

Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor covalent complex with the aldouronic acid UXXR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 41 21 2
Unit cell lengths	84.750, 84.750, 261.062
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.450 - 1.850
R-factor	0.1509
Rwork	0.149
R-free	0.18100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rtv
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.450	44.450	1.830
High resolution limit [Å]	1.800	9.520	1.800
Rmerge	0.101	0.035	1.158
Rmeas	0.103	0.036	1.193
Rpim	0.021	0.008	0.272
Total number of observations	2056826	14989	55271
Number of reflections	85042	747	3131
<I/σ(I)>	24	62.6	2.7
Completeness [%]	95.5	99.3	67.9
Redundancy	24.2	20.1	17.7
CC(1/2)	0.999	1.000	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M ammonium acetate, 0.1 M bis-tris pH 5.5, 17% w/v PEG10000