1J1N

Structure Analysis of AlgQ2, A Macromolecule(Alginate)-Binding Periplasmic Protein Of Sphingomonas Sp. A1., Complexed with an Alginate Tetrasaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	200
Detector technology	CCD
Collection date	2001-03-29
Detector	OXFORD
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	95.630, 53.881, 114.924
Unit cell angles	90.00, 107.53, 90.00

Refinement procedure

Resolution	61.600 * - 1.600
R-factor	0.19
Rwork	0.190
R-free	0.21100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo AlgQ2 (1KWH)
RMSD bond length	0.005
RMSD bond angle	1.270 *
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.600 *	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.076 *	0.242 *
Total number of observations	559708 *
Number of reflections	175841 *	16776 *
Completeness [%]	98.3 *	94.6 *
Redundancy	7.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	Momma, K., (2002) J. Mol. Biol., 316, 1061. *