3T48

Crystal Structure of truncated form of Staphylococcal Complement Inhibitor D (SCIN-D) at 1.5 Angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	93
Detector technology	CCD
Collection date	2010-08-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97243
Spacegroup name	P 1 21 1
Unit cell lengths	26.095, 94.277, 29.097
Unit cell angles	90.00, 97.14, 90.00

Refinement procedure

Resolution	27.606 - 1.500
R-factor	0.1568
Rwork	0.153
R-free	0.19310
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.144
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.14)
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.067	0.052	0.308
Number of reflections	21840
<I/σ(I)>	14.6
Completeness [%]	97.7	99.7	91.8
Redundancy	5.9	6.6	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	10mg/ml protein, 0.1M bis-Tris, 30% PEG 8000, 20 mM sodium thiocyanate, pH 5.0, vapor diffusion, hanging drop, temperature 293K