3L3O

Staphylococcal Complement Inhibitor (SCIN) in complex with Human Complement Component C3c

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	93
Detector technology	CCD
Collection date	2009-06-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	69.110, 217.028, 115.654
Unit cell angles	90.00, 89.98, 90.00

Refinement procedure

Resolution	34.522 - 3.405
R-factor	0.2251
Rwork	0.223
R-free	0.27080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a74 2qff
RMSD bond length	0.009
RMSD bond angle	1.195
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.520
High resolution limit [Å]	3.400	3.400
Rmerge	0.161	0.497
Number of reflections	45397
<I/σ(I)>	5	2.38
Completeness [%]	97.5	93.1
Redundancy	3.4	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	Protein solution: 5mg/ml, 0.1M HEPES, 10% PEG 6000, 5% 2-Methyl-2,4-pentanediol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K