3T47

Crystal Structure of truncated form of Staphylococcal Complement Inhibitor D (SCIN-D) at 1.3 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	26.152, 94.356, 29.196
Unit cell angles	90.00, 97.19, 90.00

Refinement procedure

Resolution	28.967 - 1.301
R-factor	0.1573
Rwork	0.155
R-free	0.18650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t48
RMSD bond length	0.011
RMSD bond angle	1.082
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.350
High resolution limit [Å]	1.300	2.800	1.300
Rmerge	0.078	0.059	0.460
Number of reflections	31662
<I/σ(I)>	10.7
Completeness [%]	92.2	96.3	89.3
Redundancy	18.7	20.8	10.9

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