5UXX

Co-crystal structure of the sigma factor RpoE in complex with the anti-sigma factor NepR from Bartonella quintana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-16
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 32 2 1
Unit cell lengths	92.420, 92.420, 127.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.210 - 2.450
R-factor	0.192
Rwork	0.191
R-free	0.22300
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.523
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	RESOLVE
Refinement software	PHENIX (dev_1738)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.210	2.510
High resolution limit [Å]	2.450	2.450
Rmerge	0.106	0.516
Number of reflections	44774
<I/σ(I)>	10.75	2.71
Completeness [%]	99.7	99.6
Redundancy	3.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	289	BaquA.17208.a.CB1.PS01985 at 24.97mg/ml was mixed 1:1 with a condition based on MCSG2(b11): 29% (w/v) PEG-3350, 0.2 M lithium sulfate, 0.1 M Bis-Tris/HCl, pH = 7.2.