4QIE

Crystal Structure of PduA with edge mutation K26D

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
Wavelength(s)	.9795
Spacegroup name	P 65 2 2
Unit cell lengths	108.110, 108.110, 334.340
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.847 - 2.350
R-factor	0.2052
Rwork	0.201
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ngk
RMSD bond length	0.009
RMSD bond angle	1.282
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]	19.850	2.410
High resolution limit [Å]	2.350	2.350
Rmerge	0.116	0.553
Number of reflections	46445
<I/σ(I)>	12.09	2.64
Completeness [%]	94.4	84.9
Redundancy	6.87

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	298	0.1M Tri-sodium citrate, 2.4M ammonium sulfate, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 298K