1Q5Z

Crystal Structure of the C-terminal Actin Binding Domain of Salmonella Invasion Protein A (SipA)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	113.15
Detector technology	CCD
Collection date	2002-09-18
Detector	MARRESEARCH
Wavelength(s)	0.9792,0.9794,0.9716
Spacegroup name	P 43 21 2
Unit cell lengths	79.900, 79.900, 57.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.800
R-factor	0.194
Rwork	0.194
R-free	0.22200
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.260 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.060 *	0.426 *
Total number of observations	476002 *
Number of reflections	17843 *
Completeness [%]	99.9 *	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	277	2M ammonium sulfate, 1.5% methyl-pentanediol, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	drop	Tris	10 (mM)	pH8.0
3	1	drop		100 (mM)
4	1	drop	dithiothreitol	2 (mM)
5	1	reservoir	ammonium sulfate	2 (M)
6	1	reservoir	MPD	1.5 (%)	pH7.5
7	1	reservoir	dithiothreitol	2 (mM)