1N2K

Crystal structure of a covalent intermediate of endogenous human arylsulfatase A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	294
Detector technology	IMAGE PLATE
Collection date	1999-05-25
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	I 4 2 2
Unit cell lengths	131.520, 131.520, 192.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.700 *
R-factor	0.202
Rwork	0.202
R-free	0.24500 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.700 *	2.700 *
Number of reflections	22279 *
Completeness [%]	97.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3 *	20 *	cacodylate, sodium fluoride, PEG8000, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	10 (mM)	pH7.3
2	1	drop	enzyme	6-10 (mg/ml)
3	1	reservoir	cacodylate	100 (mM)	pH6.5-6.6
4	1	reservoir	sodium fluoride	100 (mM)
5	1	reservoir	PEG8000	7-13 (%)