3T46

Crystal structure 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 330 mm CCD
Wavelength(s)	0.97243
Spacegroup name	P 65 2 2
Unit cell lengths	28.860, 28.860, 262.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.993 - 1.500
R-factor	0.2241
Rwork	0.222
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t48
RMSD bond length	0.007
RMSD bond angle	0.994
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.069	0.282
Number of reflections	11413
Completeness [%]	98.8	95.4
Redundancy	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	293	10mg/ml protein, 0.1M bis-Tris, 15% w/v PEG 3350, pH 4.8, vapor diffusion, hanging drop, temperature 293K