6OVK

Crystal Structure of the Pseudomonas capeferrum Anti-sigma Regulator PupR C-terminal Cell-surface Signaling Domain in Complex with the Outer Membrane Transporter PupB N-terminal Signaling Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	43.385, 44.558, 141.009
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.487 - 1.761
R-factor	0.1624
Rwork	0.160
R-free	0.20930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ovm
RMSD bond length	0.011
RMSD bond angle	1.213
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.558	1.761
High resolution limit [Å]	1.700	1.761
Rmerge	0.056	0.268
Rpim	0.023	0.110
Number of reflections	27017	274
<I/σ(I)>	25.2	6.8
Completeness [%]	96.9	99.3
Redundancy	7	6.9
CC(1/2)		0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	150mM ammonium tartrate dibasic, 18% PEG 3350