4QIF

Crystal Structure of PduA with edge mutation K26A and pore mutation S40H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-09
Detector	ADSC QUANTUM 315
Spacegroup name	P 65 2 2
Unit cell lengths	108.750, 108.750, 334.290
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	94.180 - 1.995
R-factor	0.187
Rwork	0.184
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.189
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX ((PHASER-MR))
Refinement software	PHENIX ((phenix.refine: dev_1555))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.190	2.050
High resolution limit [Å]	1.995	1.995
Number of reflections	80002
<I/σ(I)>	11.79	1.05
Completeness [%]	99.4	93.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		9	298	0.2M Na/K tartrate, 2.2M Ammonium sulfate, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 298K