4RBU

PduA K26A S40Q 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	2014-02-28
Detector	DECTRIS PILATUS 6M-F
Spacegroup name	P 65 2 2
Unit cell lengths	108.630, 108.630, 336.280
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	94.080 - 2.790
R-factor	0.2309
Rwork	0.229
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ngk
RMSD bond length	0.010
RMSD bond angle	1.270
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.080	2.860
High resolution limit [Å]	2.790	2.790
Rmerge	0.342	0.023
Number of reflections	30282
<I/σ(I)>	11.04	1.84
Completeness [%]	99.6	95.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	298	2M AmSO4, 0.1M Cacodylate buffer pH 6.5, 0.2M NaCl, vapor diffusion, hanging drop, temperature 298K