8WEX

Crystal structure of N-acetyl sugar amidotransferase from Legionella pneumophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97914
Spacegroup name	P 32 1 2
Unit cell lengths	74.722, 74.722, 319.678
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.330
R-factor	0.20986
Rwork	0.208
R-free	0.24687
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.234
Data reduction software	autoPX
Data scaling software	pointless
Phasing software	MR-Rosetta
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.670	2.390
High resolution limit [Å]	2.330	2.330
Number of reflections	44179	3210
<I/σ(I)>	19.8
Completeness [%]	100.0
Redundancy	17.2
CC(1/2)	0.998	0.602

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		287	20% (w/v) PEG 3350, 0.2 M ammonium acetate