4FHO

Crystal structure of an internalin C2 (inlC2) from Listeria monocytogenes str. 4b F2365 at 1.90 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-12
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 61
Unit cell lengths	115.795, 115.795, 76.927
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	61.036 - 1.900
R-factor	0.1948
Rwork	0.193
R-free	0.22470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h6u
RMSD bond length	0.011
RMSD bond angle	1.622
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.036	61.036	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.042	0.497
Total number of observations		7829	27361
Number of reflections	42655
<I/σ(I)>	8.3	13.9	1.4
Completeness [%]	92.0	81.7	93.9
Redundancy	5.9	6.3	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	2.00M ammonium sulfate, 0.1M tris hydrochloride pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K