1F6K

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	1996-11-11
Detector	RIGAKU RAXIS II
Spacegroup name	P 21 21 2
Unit cell lengths	65.774, 118.409, 81.312
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.600
Rwork	0.189
R-free	0.22700
RMSD bond length	0.008
RMSD bond angle	0.024
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	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.040	0.390
Total number of observations	263507 *
Number of reflections	76295
<I/σ(I)>	28.6
Completeness [%]	90.4	46.5
Redundancy	3.5	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	PEG 4000, ammonium sulphate, sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 20.0K

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	25 (%(w/v))
5	1	reservoir	ammonium sulfate	0.2 (M)
6	1	reservoir		0.1 (M)