6AZQ

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 MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-08
Detector	ADSC QUANTUM 210
Wavelength(s)	0.95370
Spacegroup name	P 21 21 21
Unit cell lengths	73.702, 87.303, 341.695
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.850 - 2.220
R-factor	0.25044
Rwork	0.249
R-free	0.27744
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6azn
RMSD bond length	0.010
RMSD bond angle	1.433
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]	47.700	2.260
High resolution limit [Å]	2.220	2.220
Rmerge	0.159	0.726
Rpim	0.093	0.434
Number of reflections	110156	5317
<I/σ(I)>	7.7	2.5
Completeness [%]	99.9	98.6
Redundancy	7.4	7.1
CC(1/2)	0.990	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	Sitting drops were set up with 200 nL protein at 13 mg/mL plus 200 nL reservoir: 11.9% (w/v) PEG 8000, 27 mM calcium chloride, 100 mM citrate buffer at pH 5.5