8C46

N-Carbamoyl-beta-Alanine Amidohydrolases from Rhizobium radiobacter MDC 8606

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91188
Spacegroup name	P 2 21 21
Unit cell lengths	53.231, 104.622, 145.372
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.917 - 2.000
Rwork	0.229
R-free	0.26980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.851
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MoRDa
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.920	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	55817	4087
<I/σ(I)>	7.1	1.3
Completeness [%]	100.0
Redundancy	7
CC(1/2)	0.996	0.786

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	23 % (w/v) PEG1500 and 100 mM MMT pH 6.0