8AQ0

Crystal structure of L-N-Carbamoylase from Sinorhizobium meliloti mutant L217G/F329C

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 PILATUS3 2M
Wavelength(s)	0.9655
Spacegroup name	I 1 2 1
Unit cell lengths	132.569, 42.047, 137.211
Unit cell angles	90.00, 94.78, 90.00

Refinement procedure

Resolution	99.230 - 2.300
R-factor	0.1761
Rwork	0.173
R-free	0.23820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AF model
RMSD bond length	0.012
RMSD bond angle	1.497
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]	99.230	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.117	0.914
Rmeas	0.128	1.048
Rpim	0.052	0.497
Total number of observations	199896
Number of reflections	33664	2938
<I/σ(I)>	9.9
Completeness [%]	98.7	89.8
Redundancy	5.9	4.1
CC(1/2)	0.996	0.679

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	20 mM K,Na-phosphate, 0.1 M Bis-Tris Propane, 20 % PEG3350