1F74

CRYSTAL STRUCTURE ANALYSIS OF N-ACETYLNEURAMINATE LYASE FROM HAEMOPHILUS INFLUENZAE: CRYSTAL FORM II COMPLEXED WITH 4-DEOXY-SIALIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	1997-06-30
Detector	RIGAKU RAXIS II
Spacegroup name	P 21 21 2
Unit cell lengths	65.213, 118.009, 80.968
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.600
R-factor	0.169 *
Rwork	0.169
R-free	0.20200
RMSD bond length	0.007
RMSD bond angle	0.023
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]	20.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.030	0.090
Total number of observations	423057 *
Number of reflections	78893
<I/σ(I)>	37.7
Completeness [%]	94.9	53.5
Redundancy	5.3	1.8

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)