8APZ

Crystal structure of wild-type L-N-Carbamoylase from Sinorhizobium meliloti

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-22
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9655
Spacegroup name	I 1 2 1
Unit cell lengths	133.250, 41.801, 133.996
Unit cell angles	90.00, 94.08, 90.00

Refinement procedure

Resolution	43.220 - 1.750
R-factor	0.1513
Rwork	0.149
R-free	0.18550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AF model
RMSD bond length	0.010
RMSD bond angle	1.412
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.530	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.088	0.778
Rmeas	0.095	0.848
Rpim	0.037	0.332
Total number of observations	482305
Number of reflections	74615	3970
<I/σ(I)>	13.3
Completeness [%]	99.5	97.4
Redundancy	6.5	6.2
CC(1/2)	0.997	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	0.2 M sodium acetate, 0.1 M Bis-tris propane and 20 % PEG3350