1HDH

Arylsulfatase from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	1999-08-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	188.920, 67.290, 89.700
Unit cell angles	90.00, 94.20, 90.00

Refinement procedure

Resolution	20.000 - 1.300
R-factor	0.1894 *
R-free	0.21790 *
Structure solution method	SIRAS
RMSD bond length	0.010
RMSD bond angle	0.026
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.400
High resolution limit [Å]	1.300	1.300
Rmerge	0.085 *	0.337 *
Number of reflections	255817
<I/σ(I)>	12.7	3.5
Completeness [%]	93.1	81.5
Redundancy	1.7	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	18-22 *	PROTEIN SOLUTION: 11MG/ML IN 20 MM TRIS-HCL PH 7.5 + EQUAL VOLUME OF PRECIPITANT: 100 MM MES PH 6.3, 200 MM AMMONIUM SULFATE, 20% (W/V) PEG MONOMETHYLETHER 5000; HANGING DROP, 20 C

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)	pH7.5
3	1	reservoir	MES	100 (mM)	pH6.3
4	1	reservoir	ammonium sulfate	200 (mM)
5	1	reservoir	PEG5000 MME	22 (%(w/v))