1F7B

CRYSTAL STRUCTURE ANALYSIS OF N-ACETYLNEURAMINATE LYASE FROM HAEMOPHILUS INFLUENZAE: CRYSTAL FORM II IN COMPLEX WITH 4-OXO-SIALIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	113
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS II
Spacegroup name	P 21 21 2
Unit cell lengths	65.625, 117.990, 80.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.800
R-factor	0.167 *
Rwork	0.167
R-free	0.21000
RMSD bond length	0.009
RMSD bond angle	0.026
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.060	0.200
Total number of observations	231047 *
Number of reflections	52684
<I/σ(I)>	21
Completeness [%]	89.0	42.4
Redundancy	4.4	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	293	PEG 4000, sodium acetate, ammonium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	drop		90 (mM)
4	1	reservoir	PEG4000	19 (%(w/v))
5	1	reservoir		0.1 (M)
6	1	reservoir		0.1 (M)