6CKK

N. meningitidis CMP-sialic acid synthetase in the presence of CTP and Ca2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-01-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.03316
Spacegroup name	P 21 21 21
Unit cell lengths	43.190, 69.560, 158.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.110 - 1.800
R-factor	0.20435
Rwork	0.202
R-free	0.24958
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eyr
RMSD bond length	0.016
RMSD bond angle	1.728
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.110	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.048	0.291
Number of reflections	42666	2883
<I/σ(I)>	16.64	3.56
Completeness [%]	93.8	87.7
Redundancy	3.35	3.32
CC(1/2)	0.998	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1 M imidazole pH 8, 6% PEG 8000, and 0.2M calcium acetate