5UXW

Crystal Structure of Anti-anti-sigma factor PhyR 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	2014-11-12
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	C 2 2 21
Unit cell lengths	119.770, 120.980, 83.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.940 - 2.300
R-factor	0.184
Rwork	0.181
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qic
RMSD bond length	0.006
RMSD bond angle	0.937
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_2666)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.940	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.136	0.596
Number of reflections	26897
<I/σ(I)>	10.94	2.74
Completeness [%]	98.6	99.1
Redundancy	4.6	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	JCSG+(H11): 25% PEG-3350, 100MM BIS -TRIS/HCL, PH=5.5, 200MM MGCL2 , CRYO PROTECTED WITH 20% EG; BAQUA.17156.A.CB1.PS02157 AT 9.1 MG/ML, TRAY 257812