1KWH

Structure Analysis AlgQ2, a Macromolecule(alginate)-Binding Periplasmic Protein of Sphingomonas sp. A1.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	2000-10-11
Detector	SIEMENS HI-STAR
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	41.703, 96.369, 139.863
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 * - 2.000
R-factor	0.183 *
Rwork	0.185
R-free	0.23900
Structure solution method	MIR
RMSD bond length	0.006
RMSD bond angle	1.290 *
Data scaling software	SAINT
Phasing software	PHASES
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.000	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.077 *
Total number of observations	149287 *
Number of reflections	42596
<I/σ(I)>	7.63	5.83
Completeness [%]	93.7	76.98
Redundancy	3.5	1.63

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	PEG 4000, ammonium acetate, sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	9 (mg/ml)
2	1	reservoir	PEG4000	30 (%(w/v))
3	1	reservoir	ammonium acetate	0.2 (M)
4	1	reservoir	sodium acetate	0.1 (M)	pH4.6