4RBT

PduA K26A S40L mutant, from Salmonella enterica serovar Typhimurium LT2

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	PIXEL
Collection date	2014-04-03
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97920
Spacegroup name	P 6 2 2
Unit cell lengths	116.820, 116.820, 64.080
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.134 - 2.300
R-factor	0.2328
Rwork	0.229
R-free	0.26790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ngk
RMSD bond length	0.010
RMSD bond angle	1.280
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.134	10.290	2.360
High resolution limit [Å]	2.300	7.270	2.300
Rmerge	0.102	0.014	0.014
Number of reflections	11772	269	801
<I/σ(I)>	15.56	52.21	1.08
Completeness [%]	98.6	97.1	94.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1M MES sodium salt pH 6.5, 2.0M Ammonium sulfate, 5% w/v PEG 400, vapor diffusion, hanging drop, temperature 298K