4UPL

Dimeric sulfatase SpAS2 from Silicibacter pomeroyi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-05
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 21
Unit cell lengths	101.330, 105.120, 110.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.459 - 1.805
R-factor	0.1653
Rwork	0.163
R-free	0.20810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4upi
RMSD bond length	0.007
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.890	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.120	0.730
Number of reflections	108165
<I/σ(I)>	12.39	2.83
Completeness [%]	99.5	96.9
Redundancy	7.3	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				20% PEG3350, 0.2 M AMMONIUM FORMATE