6CKJ

N. meningitidis CMP-sialic acid synthetase, ligand-free

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	C 2 2 2
Unit cell lengths	93.783, 155.056, 38.777
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.777 - 1.750
R-factor	0.1586
Rwork	0.157
R-free	0.18650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eyr
RMSD bond length	0.006
RMSD bond angle	0.751
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.780	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.062	0.515
Number of reflections	27855	1446
<I/σ(I)>	14.3	3.9
Completeness [%]	96.0	91.8
Redundancy	3.43	3.34
CC(1/2)	0.995	0.794

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