1OJQ

The crystal structure of C3stau2 from S. aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	2002-12-22
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	39.616, 64.525, 74.984
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.680
R-factor	0.17
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004 *
RMSD bond angle	1.300 *
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.085	0.295
Total number of observations	409845 *
Number of reflections	22619 *
<I/σ(I)>	20	5.3
Completeness [%]	99.4 *	97.5
Redundancy	20

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	22 *	30% PEG 8000, 0.1M SODIUM CACODYLATE BUFFER PH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8.72-10.25 (mg/ml)
2	1	reservoir	sodium cacodylate	100 (mM)	pH6.4-6.6
3	1	reservoir	PEG8000	29-30 (%)