2WQV

Internalin domain of Listeria monocytogenes InlB: rhombohedral 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	H 3 2
Unit cell lengths	185.900, 185.900, 115.070
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.822 - 2.800
R-factor	0.205
Rwork	0.203
R-free	0.23780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h6t
RMSD bond length	0.008
RMSD bond angle	1.072
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.160	0.910
Number of reflections	18763
<I/σ(I)>	10.98	2.58
Completeness [%]	99.3	100
Redundancy	6.96	7.08

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	SITTING VAPOR DIFFUSION AT 293 K. 200 NL PROTEIN PLUS 100 NL OF RESERVOIR SOLUTION CONSISTING OF 0.1 M NACL, 0.1 M CHES PH 9.5, 40% PEG300. THE PROTEIN WAS ACTUALLY A COMPLEX OF MET741 WITH INLB321 AT 5 MG/ML, I.E. INLB321 WAS AT 1.4 MG/ML. CRYSTAL GROWTH TIME: SEVERAL WEEKS TO MONTHS.