1OJZ

The crystal structure of C3stau2 from S. aureus with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-27
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	41.900, 65.080, 75.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.020
R-factor	0.214
Rwork	0.214
R-free	0.26900
Structure solution method	OTHER
RMSD bond length	0.006
RMSD bond angle	22.000 *
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.090
High resolution limit [Å]	2.020	2.020
Rmerge	0.088	0.341
Total number of observations	327780 *
Number of reflections	14088 *
<I/σ(I)>	15.8	4.1
Completeness [%]	96.9	96.6
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 (%)