4MIV

Crystal Structure of Sulfamidase, Crystal Form L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-05-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99989
Spacegroup name	P 1 21 1
Unit cell lengths	102.930, 211.450, 108.350
Unit cell angles	90.00, 102.69, 90.00

Refinement procedure

Resolution	48.850 - 2.400
R-factor	0.2173
Rwork	0.216
R-free	0.24470
RMSD bond length	0.003
RMSD bond angle	0.683
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.900		2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.064	0.030	0.561
Number of reflections	333757	3522	24389
<I/σ(I)>	7.78	22.62	1.32
Completeness [%]	95.6	89.7	94.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.1	293	13% (w/v) polyethylene glycol (PEG) 8000, 200 mM MgCl2 and 100 mM Bis-Tris buffer, pH 5.1, VAPOR DIFFUSION, SITTING DROP, temperature 293K