5C54

Crystal structure of a novel N-acetylneuraminic acid lyase from Corynebacterium glutamicum

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97908, 0.96406, 0.97929
Spacegroup name	P 1 21 1
Unit cell lengths	80.506, 96.285, 163.288
Unit cell angles	90.00, 92.33, 90.00

Refinement procedure

Resolution	34.268 - 1.601
R-factor	0.1648
Rwork	0.163
R-free	0.19370
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	0.997
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.8.3_1479))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.088	0.048	0.634
Rmeas	0.094	0.052	0.680
Rpim	0.034	0.019	0.247
Total number of observations	2416688
Number of reflections	319011
<I/σ(I)>	11.2
Completeness [%]	97.7	99.2	96.2
Redundancy	7.6	7.3	7.5
CC(1/2)		0.998	0.855

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	291.15	0.1 M Tris, 1.2 M Lithium chloride, 30% PEG 6000