4JBU

1.65A structure of the T3SS tip protein LcrV (G28-D322, C273S) from Yersinia pestis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-01-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	39.553, 51.442, 65.178
Unit cell angles	90.00, 92.00, 90.00

Refinement procedure

Resolution	34.330 - 1.650
R-factor	0.1795
Rwork	0.177
R-free	0.22020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r6f
RMSD bond length	0.011
RMSD bond angle	1.196
Data scaling software	SCALA (CCP4_3.3.16)
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (dev_961)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	51.440	51.440	1.740
High resolution limit [Å]	1.650	5.220	1.650
Rmerge	0.034	0.010	0.500
Total number of observations		3174	14857
Number of reflections	31392
<I/σ(I)>	17.9825	56.8	2.2
Completeness [%]	99.3	95.2	99.84
Redundancy	3.29	3.13	3.27

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	25% (w/v) PEG 3350, 100 mM Bicine, pH 7.0, vapor diffusion, temperature 293K