6D7R

Crystal structure of an inactivate variant of the quorum-sensing master regulator HapR from protease-deficient non-O1, non-O139 Vibrio cholerae strain V2

Replaces:  5L0X

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-27
Detector	ADSC QUANTUM 270
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	43.470, 85.710, 112.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.428 - 2.100
R-factor	0.2077
Rwork	0.203
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pbx
RMSD bond length	0.008
RMSD bond angle	0.926
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.428	2.175
High resolution limit [Å]	2.100	2.100
Number of reflections	182643	2496
<I/σ(I)>	19.04	2.08
Completeness [%]	99.8	100
Redundancy	7.2	7.4
CC(1/2)	0.999	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M MES pH 6.5, 15% PEG 20000