1F6P

CRYSTAL STRUCTURE ANALYSIS OF N-ACETYLNEURAMINATE LYASE FROM HAEMOPHILUS INFLUENZAE: CRYSTAL FORM III

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	1997-01-29
Detector	RIGAKU RAXIS II
Spacegroup name	P 21 21 21
Unit cell lengths	81.100, 116.815, 129.042
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.250
R-factor	0.188 *
Rwork	0.188
R-free	0.26100
RMSD bond length	0.013
RMSD bond angle	0.037
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	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.110	0.390
Total number of observations	264983 *
Number of reflections	58235
<I/σ(I)>	12.5
Completeness [%]	99.0	97.6
Redundancy	4.5	4.1

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	21 (%(w/v))
5	1	reservoir		0.1 (M)
6	1	reservoir		0.1 (M)