1O4Y

THE THREE-DIMENSIONAL STRUCTURE OF BETA-AGARASE A FROM ZOBELLIA GALACTANIVORANS

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2002-08-03
Detector	ADSC QUANTUM 4
Wavelength(s)	1.38482, 1.38561
Spacegroup name	P 21 21 21
Unit cell lengths	50.314, 57.487, 89.054
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.800 * - 1.480
R-factor	0.149
Rwork	0.148
R-free	0.17600
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.600 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.800 *
High resolution limit [Å]	1.480
Rmerge	0.083 *	0.374 *
Total number of observations	454198 *
Number of reflections	42255 *
<I/σ(I)>	15.6
Completeness [%]	99.7 *	99.7 *
Redundancy	3.9 *	3.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	20.5 *	28% PEG 8000, 200 mM Ammonium sulphate, 100 mM Sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.5 (mg/ml)
2	1	drop	Tris	50 (%(w/v))	pH7.5
3	1	drop		25 (mM)
4	1	reservoir	PEG8000	28 (%)
5	1	reservoir	ammonium sulfate	200 (mM)
6	1	reservoir	sodium acetate	100 (mM)	pH4.6