6WCE

Structure of the periplasmic binding protein P5PA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	105
Detector technology	CCD
Collection date	2014-08-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	51.468, 42.273, 69.601
Unit cell angles	90.00, 106.82, 90.00

Refinement procedure

Resolution	66.620 - 1.754
R-factor	0.1623
Rwork	0.161
R-free	0.19490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r73
RMSD bond length	0.007
RMSD bond angle	0.786
Data reduction software	iMOSFLM
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.624	1.817
High resolution limit [Å]	1.750	1.754
Number of reflections	28927	2856
<I/σ(I)>	24.68
Completeness [%]	92.8
Redundancy	5.1
CC(1/2)	0.996	0.985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294.15	0.05M potassium thiocyanate, 27.5% PEG MME 2000