3S8Q

Crystal structure of the R-M controller protein C.Esp1396I OL operator complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-30
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9334
Spacegroup name	P 2 21 21
Unit cell lengths	44.316, 61.546, 113.687
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.1602
Rwork	0.157
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	2.282
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (1.3.3)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.200
High resolution limit [Å]	2.100	15.000	2.100
Rmerge	0.085	0.036	0.478
Number of reflections	17823	56	2321
<I/σ(I)>	14.66	27.04	4.11
Completeness [%]	94.6	77.8	96.6
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	0.2 M Sodium acetate, 0.1 m Bis-tris-propane, 20% w/v PEG 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K