6T46

Structure of the Rap conjugation gene regulator of the plasmid pLS20 in complex with the Phr* peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.12712
Spacegroup name	C 1 2 1
Unit cell lengths	116.670, 93.282, 167.687
Unit cell angles	90.00, 94.97, 90.00

Refinement procedure

Resolution	45.424 - 2.450
R-factor	0.2051
Rwork	0.202
R-free	0.26210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6t3h
RMSD bond length	0.011
RMSD bond angle	1.612
Data reduction software	XDS (Jun 1, 2017)
Data scaling software	autoPROC (1.0.5)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.424	45.424	2.492
High resolution limit [Å]	2.450	6.643	2.450
Rmerge	0.039	0.018	0.788
Rmeas	0.053	0.023	1.074
Rpim	0.037	0.016	0.759
Number of reflections	44873	6950	94
<I/σ(I)>	14		1.3
Completeness [%]	95.9	96.4	2.8
Redundancy	2.2	2.1	3.2
CC(1/2)	0.995	0.993	0.622

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.8	290	2.5% PEG8K, 8% Etilenglicol, 0.1M MES pH6.8, Rap 10mg/mL, 1:5 RAP:Phr (QKGMY)