5ZJM

Crystal structure of N-acetylneuraminate lyase from Fusobacterium nucleatum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.978875
Spacegroup name	C 1 2 1
Unit cell lengths	105.165, 108.977, 141.137
Unit cell angles	90.00, 96.88, 90.00

Refinement procedure

Resolution	47.108 - 2.323
R-factor	0.2044
Rwork	0.202
R-free	0.24510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4imc
Data reduction software	XDS
Data scaling software	Aimless (0.6.2)
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.240	49.240	2.380
High resolution limit [Å]	2.320	10.900	2.320
Rmerge	0.040	0.025	0.466
Rmeas	0.051	0.031	0.600
Rpim	0.032	0.019	0.371
Number of reflections	64567	650	4304
<I/σ(I)>	10.3
Completeness [%]	94.9	94.3	94.3
Redundancy	2.3	2.4	2.3
CC(1/2)	0.998	0.998	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	0.1M CHES, pH 9.5 , 10%(w/v) PEG 3000 and 5mM ATP