6IFD

Crystal Structure of CMP-N-acetylneuraminate Synthetase from Vibrio cholerae in complex with CDP and Mg2+.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	93.380, 97.720, 98.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.550 - 2.300
R-factor	0.203
Rwork	0.202
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ezi
RMSD bond length	0.010
RMSD bond angle	1.140
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.730	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.070	0.790
Number of reflections	40516	811
<I/σ(I)>	1.6
Completeness [%]	99.4
Redundancy	6.2
CC(1/2)	0.990	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	PEG 8000, calcium acetate and sodium cacodylate