6CKM

N. meningitidis CMP-sialic acid synthetase in the presence of CMP-sialic acid 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	2014-03-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12709
Spacegroup name	C 2 2 2
Unit cell lengths	93.372, 156.020, 38.714
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.005 - 1.543
R-factor	0.154
Rwork	0.153
R-free	0.17630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eyr
RMSD bond length	0.006
RMSD bond angle	0.763
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.130	1.580
High resolution limit [Å]	1.540	1.540
Rmerge	0.061	0.449
Number of reflections	41624	2739
<I/σ(I)>	11.86	2.52
Completeness [%]	98.6	89.4
Redundancy	3.5	3.39
CC(1/2)	0.997	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.16M calcium acetate, 0.08M sodium cacodylate pH 6.5, 14.4% PEG 8000, and 20% glycerol