1OU9

Structure of SspB, a AAA+ protease delivery protein

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	113
Detector technology	CCD
Collection date	2002-06-26
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97898, 0.97939, 0.96866, 0.98397
Spacegroup name	C 2 2 21
Unit cell lengths	65.292, 137.839, 93.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.950 - 1.800
R-factor	0.23
Rwork	0.217
R-free	0.25300
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	25.200 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.068 *	0.553 *
Total number of observations	434385 *
Number of reflections	39686
Completeness [%]	99.9 *	100
Redundancy	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	20 *	calcium acetate, sodium cacodylate, PEG 6000, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.7 (mg/ml)
2	1	reservoir	calcium acetate	0.24 (M)
3	1	reservoir	sodium cacodylate	0.1 (M)	pH5.6
4	1	reservoir	PEG8000	12 (%(w/v))