5UXV

Crystal Structure of Anti-anti-sigma factor PhyR I40V/S51C mutant 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	117.500, 121.420, 89.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.175 - 2.600
R-factor	0.1961
Rwork	0.194
R-free	0.23720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qic
RMSD bond length	0.002
RMSD bond angle	0.497
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]	50.000	2.670
High resolution limit [Å]	2.600	2.600
Rmerge	0.110	0.502
Number of reflections	20022
<I/σ(I)>	12.61	3.24
Completeness [%]	99.3	99.9
Redundancy	5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	SYNERGY1(E12): 7.425% MPD, 0.223M AMMONIUM CITRATE/ CITRIC ACID, PH=5.5 , CRYO PROTECTED WITH 20% EG; BAQUA.17156.A.DG11.PD00341 AT 19.88 MG/ML, TRAY 257812H11