5BK6

Structural and biochemical characterization of a non-canonical biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 2 21 21
Unit cell lengths	62.130, 122.678, 135.745
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.800 - 1.590
R-factor	0.15124
Rwork	0.150
R-free	0.17420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6azn
RMSD bond length	0.018
RMSD bond angle	1.893
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	1.620
High resolution limit [Å]	1.590	1.590
Rmerge	0.071	0.726
Rpim	0.045	0.588
Number of reflections	139814	6816
<I/σ(I)>	11.7	1.6
Completeness [%]	100.0	100
Redundancy	6.1	4.3
CC(1/2)	0.999	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	Sitting drops were set up with 150 nL protein at 100 mg/mL plus 150 nL reservoir: 100 mM bis-tris chloride buffer at pH 5.5, 17% (w/v) PEG 10000, 100 mM sodium acetate