1IS5

Ligand free Congerin II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	2000-01-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 42 21 2
Unit cell lengths	61.200, 61.200, 80.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.17
Rwork	0.168
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Congerin II Lactose and MES complex
RMSD bond length	0.015
RMSD bond angle	26.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.040	0.086
Number of reflections	10908	1058 *
<I/σ(I)>	40.6	23.5
Completeness [%]	99.1	98.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	18 *	magnesium sulfate, sodium citrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		0.8 (M)
2	1	drop	protein	1 (%(w/v))
3	1	drop	Tris-HCl	0.1 (M)	pH6.5
4	1	reservoir		1.6 (M)
5	1	reservoir	Tris-HCl	0.1 (M)	pH6.5