2WQU

Internalin domain of Listeria monocytogenes InlB: triclinic crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-19
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	59.660, 70.650, 124.660
Unit cell angles	74.47, 83.13, 85.65

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.194
Rwork	0.191
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h6t
RMSD bond length	0.006
RMSD bond angle	0.978
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.670
High resolution limit [Å]	2.600	2.600
Rmerge	0.140	0.700
Number of reflections	55139
<I/σ(I)>	10.13	2.59
Completeness [%]	92.1	74.8
Redundancy	4.96	3.42

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	SITTING DROP AT 293K WITH 200 NL PROTEIN PLUS 100 NL RESERVOIR SOLUTION CONSISTING OF: 0.1 M LI2SO4, 0.1 M NA-CITRATE PH 5.6, 30% PEG400. THE PROTEIN WAS A COMPLEX CONSISTING OF MET741 AND INLB321 AT 5 MG/ML, I.E. INLB321 WAS AT 1.4 MG7ML. CRYSTAL GROWTH TIME WAS SEVERAL MONTHS.