4PPD

PduA K26A, crystal form 2

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	2013-03-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	F 2 3
Unit cell lengths	235.340, 235.340, 235.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.205 - 2.400
R-factor	0.1972
Rwork	0.195
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ngk
RMSD bond length	0.002
RMSD bond angle	0.580
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX (dev_1555)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	83.205	83.205	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.075	0.030	1.067
Number of reflections	42125	514	3092
<I/σ(I)>	32.82	88.74	4.24
Completeness [%]	100.0	99.6	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	298	125 mM cesium sulfate, 1.8 M ammonium sulfate, pH 9.0, vapor diffusion, hanging drop, temperature 298K