9XFS

Structure of glutamine amidotransferase DnfC from Alcaligenes sp.

Replaces:  8KHS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	I 2 2 2
Unit cell lengths	66.176, 78.403, 86.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.200 - 2.200
R-factor	0.224
Rwork	0.223
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.634
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.200	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.065
Rmeas	0.071
Rpim	0.027
Number of reflections	11735	998
<I/σ(I)>	20.8
Completeness [%]	99.9
Redundancy	12.9
CC(1/2)	0.999	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	4% Tacsimate pH 5.0, 10% PEG 3350