3LYQ

Crystal structure of IpgB2 from Shigella flexneri

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-09-21
Detector	MARRESEARCH
Wavelength(s)	0.900
Spacegroup name	P 4 21 2
Unit cell lengths	114.080, 114.080, 88.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.880 - 2.300
R-factor	0.232
Rwork	0.229
R-free	0.29200
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.694
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (refmac_5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.880	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.056	0.675
Number of reflections	25363	1205
<I/σ(I)>	33.35	2.6
Completeness [%]	95.4	63
Redundancy	18.2	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	5% (w/w) PEG 3350, 7% isopropanol, 10mM FeCl3, 100mM trisodium citrate/citric acid pH 5.5, 10mM NaCl, vapor diffusion, hanging drop, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	5% (w/w) PEG 3350, 7% isopropanol, 10mM FeCl3, 100mM trisodium citrate/citric acid pH 5.5, 10mM NaCl, vapor diffusion, hanging drop, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	5% (w/w) PEG 3350, 7% isopropanol, 10mM FeCl3, 100mM trisodium citrate/citric acid pH 5.5, 10mM NaCl, vapor diffusion, hanging drop, temperature 277K