9O4U

Apo-structure of a beta-D-glucuronate dehydratase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	291.15
Detector technology	PIXEL
Collection date	2021-03-05
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	53.525, 161.369, 88.610
Unit cell angles	90.00, 95.70, 90.00

Refinement procedure

Resolution	19.840 - 2.190
R-factor	0.166
Rwork	0.163
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.807
Refinement software	REFMAC (9.0.005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.240
High resolution limit [Å]	2.190	2.200
Rmeas	0.083	0.325
Rpim	0.046	0.199
Number of reflections	76109	76109
<I/σ(I)>	13.2	3
Completeness [%]	94.1	80.7
Redundancy	2.7	2
CC(1/2)	0.968	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291.15	220 mM KCl, 24% PEG 3350