8KHS

the structure of a glutamine amidotransferase DnfC from Alcaligenes sp.

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	39.201 - 2.100
R-factor	0.2454
Rwork	0.244
R-free	0.28130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
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]	39.210	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.069	1.081
Rmeas	0.072	1.147
Rpim	0.021	0.374
Number of reflections	13421	1069
<I/σ(I)>	18.5
Completeness [%]	99.8	98.6
Redundancy	12
CC(1/2)	0.999	0.913

Crystallization Conditions

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