6AZN

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 21 21 21
Unit cell lengths	74.180, 86.921, 342.962
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.480 - 1.750
R-factor	0.17539
Rwork	0.174
R-free	0.20354
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6azo
RMSD bond length	0.018
RMSD bond angle	1.760
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.800	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.090	0.759
Rpim	0.056	0.546
Number of reflections	223984	10986
<I/σ(I)>	9	1.1
Completeness [%]	100.0	100
Redundancy	6.5	5.2
CC(1/2)	0.998	0.847

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 13 mg/mL with 150 nL of reservoir: 100 mM citrate buffer at pH 5.5, 12% (w/v) PEG 8000, 20 mM calcium chloride